A7B8_oP120_60_7d_8d & a,b/a,c/a,x1,y1,z1,x2,y2,z2,x3,y3,z3,x4,y4,z4,x5,y5,z5,x6,y6,z6,x7,y7,z7,x8,y8,z8,x9,y9,z9,x10,y10,z10,x11,y11,z11,x12,y12,z12,x13,y13,z13,x14,y14,z14,x15,y15,z15 --params=13.85,0.824548736462,0.53357400722,0.382,0.3932,0.5783,0.2764,0.38,0.5411,0.2264,0.4631,0.4411,0.1289,0.4507,0.4069,0.0794,0.3554,0.4717,0.1276,0.2723,0.571,0.2251,0.2844,0.6054,0.2616,0.5329,0.393,0.094,0.5116,0.3344,0.0088,0.3466,0.4468,0.0917,0.2026,0.6185,0.2593,0.2232,0.6779,0.3972,0.4784,0.595,0.4192,0.3624,0.4724,0.4002,0.3492,0.6895 & Pbcn D_{2h}^{14} #60 (d^15) & oP120 & None & C7H8 & beta-Toluene & D. Andre et al., J. Mol. Struct. 81, 253-259 (1982) 1.00000000000000 13.85000000000000 0.00000000000000 0.00000000000000 0.00000000000000 11.42000000000000 0.00000000000000 0.00000000000000 0.00000000000000 7.39000000000000 C H 56 64 Direct 0.38200000000000 0.39320000000000 0.57830000000000 C (8d) 0.11800000000000 0.10680000000000 1.07830000000000 C (8d) -0.38200000000000 0.39320000000000 -0.07830000000000 C (8d) 0.88200000000000 0.10680000000000 -0.57830000000000 C (8d) -0.38200000000000 -0.39320000000000 -0.57830000000000 C (8d) 0.88200000000000 0.89320000000000 -0.07830000000000 C (8d) 0.38200000000000 -0.39320000000000 1.07830000000000 C (8d) 0.11800000000000 0.89320000000000 0.57830000000000 C (8d) 0.27640000000000 0.38000000000000 0.54110000000000 C (8d) 0.22360000000000 0.12000000000000 1.04110000000000 C (8d) -0.27640000000000 0.38000000000000 -0.04110000000000 C (8d) 0.77640000000000 0.12000000000000 -0.54110000000000 C (8d) -0.27640000000000 -0.38000000000000 -0.54110000000000 C (8d) 0.77640000000000 0.88000000000000 -0.04110000000000 C (8d) 0.27640000000000 -0.38000000000000 1.04110000000000 C (8d) 0.22360000000000 0.88000000000000 0.54110000000000 C (8d) 0.22640000000000 0.46310000000000 0.44110000000000 C (8d) 0.27360000000000 0.03690000000000 0.94110000000000 C (8d) -0.22640000000000 0.46310000000000 0.05890000000000 C (8d) 0.72640000000000 0.03690000000000 -0.44110000000000 C (8d) -0.22640000000000 -0.46310000000000 -0.44110000000000 C (8d) 0.72640000000000 0.96310000000000 0.05890000000000 C (8d) 0.22640000000000 -0.46310000000000 0.94110000000000 C (8d) 0.27360000000000 0.96310000000000 0.44110000000000 C (8d) 0.12890000000000 0.45070000000000 0.40690000000000 C (8d) 0.37110000000000 0.04930000000000 0.90690000000000 C (8d) -0.12890000000000 0.45070000000000 0.09310000000000 C (8d) 0.62890000000000 0.04930000000000 -0.40690000000000 C (8d) -0.12890000000000 -0.45070000000000 -0.40690000000000 C (8d) 0.62890000000000 0.95070000000000 0.09310000000000 C (8d) 0.12890000000000 -0.45070000000000 0.90690000000000 C (8d) 0.37110000000000 0.95070000000000 0.40690000000000 C (8d) 0.07940000000000 0.35540000000000 0.47170000000000 C (8d) 0.42060000000000 0.14460000000000 0.97170000000000 C (8d) -0.07940000000000 0.35540000000000 0.02830000000000 C (8d) 0.57940000000000 0.14460000000000 -0.47170000000000 C (8d) -0.07940000000000 -0.35540000000000 -0.47170000000000 C (8d) 0.57940000000000 0.85540000000000 0.02830000000000 C (8d) 0.07940000000000 -0.35540000000000 0.97170000000000 C (8d) 0.42060000000000 0.85540000000000 0.47170000000000 C (8d) 0.12760000000000 0.27230000000000 0.57100000000000 C (8d) 0.37240000000000 0.22770000000000 1.07100000000000 C (8d) -0.12760000000000 0.27230000000000 -0.07100000000000 C (8d) 0.62760000000000 0.22770000000000 -0.57100000000000 C (8d) -0.12760000000000 -0.27230000000000 -0.57100000000000 C (8d) 0.62760000000000 0.77230000000000 -0.07100000000000 C (8d) 0.12760000000000 -0.27230000000000 1.07100000000000 C (8d) 0.37240000000000 0.77230000000000 0.57100000000000 C (8d) 0.22510000000000 0.28440000000000 0.60540000000000 C (8d) 0.27490000000000 0.21560000000000 1.10540000000000 C (8d) -0.22510000000000 0.28440000000000 -0.10540000000000 C (8d) 0.72510000000000 0.21560000000000 -0.60540000000000 C (8d) -0.22510000000000 -0.28440000000000 -0.60540000000000 C (8d) 0.72510000000000 0.78440000000000 -0.10540000000000 C (8d) 0.22510000000000 -0.28440000000000 1.10540000000000 C (8d) 0.27490000000000 0.78440000000000 0.60540000000000 C (8d) 0.26160000000000 0.53290000000000 0.39300000000000 H (8d) 0.23840000000000 -0.03290000000000 0.89300000000000 H (8d) -0.26160000000000 0.53290000000000 0.10700000000000 H (8d) 0.76160000000000 -0.03290000000000 -0.39300000000000 H (8d) -0.26160000000000 -0.53290000000000 -0.39300000000000 H (8d) 0.76160000000000 1.03290000000000 0.10700000000000 H (8d) 0.26160000000000 -0.53290000000000 0.89300000000000 H (8d) 0.23840000000000 1.03290000000000 0.39300000000000 H (8d) 0.09400000000000 0.51160000000000 0.33440000000000 H (8d) 0.40600000000000 -0.01160000000000 0.83440000000000 H (8d) -0.09400000000000 0.51160000000000 0.16560000000000 H (8d) 0.59400000000000 -0.01160000000000 -0.33440000000000 H (8d) -0.09400000000000 -0.51160000000000 -0.33440000000000 H (8d) 0.59400000000000 1.01160000000000 0.16560000000000 H (8d) 0.09400000000000 -0.51160000000000 0.83440000000000 H (8d) 0.40600000000000 1.01160000000000 0.33440000000000 H (8d) 0.00880000000000 0.34660000000000 0.44680000000000 H (8d) 0.49120000000000 0.15340000000000 0.94680000000000 H (8d) -0.00880000000000 0.34660000000000 0.05320000000000 H (8d) 0.50880000000000 0.15340000000000 -0.44680000000000 H (8d) -0.00880000000000 -0.34660000000000 -0.44680000000000 H (8d) 0.50880000000000 0.84660000000000 0.05320000000000 H (8d) 0.00880000000000 -0.34660000000000 0.94680000000000 H (8d) 0.49120000000000 0.84660000000000 0.44680000000000 H (8d) 0.09170000000000 0.20260000000000 0.61850000000000 H (8d) 0.40830000000000 0.29740000000000 1.11850000000000 H (8d) -0.09170000000000 0.20260000000000 -0.11850000000000 H (8d) 0.59170000000000 0.29740000000000 -0.61850000000000 H (8d) -0.09170000000000 -0.20260000000000 -0.61850000000000 H (8d) 0.59170000000000 0.70260000000000 -0.11850000000000 H (8d) 0.09170000000000 -0.20260000000000 1.11850000000000 H (8d) 0.40830000000000 0.70260000000000 0.61850000000000 H (8d) 0.25930000000000 0.22320000000000 0.67790000000000 H (8d) 0.24070000000000 0.27680000000000 1.17790000000000 H (8d) -0.25930000000000 0.22320000000000 -0.17790000000000 H (8d) 0.75930000000000 0.27680000000000 -0.67790000000000 H (8d) -0.25930000000000 -0.22320000000000 -0.67790000000000 H (8d) 0.75930000000000 0.72320000000000 -0.17790000000000 H (8d) 0.25930000000000 -0.22320000000000 1.17790000000000 H (8d) 0.24070000000000 0.72320000000000 0.67790000000000 H (8d) 0.39720000000000 0.47840000000000 0.59500000000000 H (8d) 0.10280000000000 0.02160000000000 1.09500000000000 H (8d) -0.39720000000000 0.47840000000000 -0.09500000000000 H (8d) 0.89720000000000 0.02160000000000 -0.59500000000000 H (8d) -0.39720000000000 -0.47840000000000 -0.59500000000000 H (8d) 0.89720000000000 0.97840000000000 -0.09500000000000 H (8d) 0.39720000000000 -0.47840000000000 1.09500000000000 H (8d) 0.10280000000000 0.97840000000000 0.59500000000000 H (8d) 0.41920000000000 0.36240000000000 0.47240000000000 H (8d) 0.08080000000000 0.13760000000000 0.97240000000000 H (8d) -0.41920000000000 0.36240000000000 0.02760000000000 H (8d) 0.91920000000000 0.13760000000000 -0.47240000000000 H (8d) -0.41920000000000 -0.36240000000000 -0.47240000000000 H (8d) 0.91920000000000 0.86240000000000 0.02760000000000 H (8d) 0.41920000000000 -0.36240000000000 0.97240000000000 H (8d) 0.08080000000000 0.86240000000000 0.47240000000000 H (8d) 0.40020000000000 0.34920000000000 0.68950000000000 H (8d) 0.09980000000000 0.15080000000000 1.18950000000000 H (8d) -0.40020000000000 0.34920000000000 -0.18950000000000 H (8d) 0.90020000000000 0.15080000000000 -0.68950000000000 H (8d) -0.40020000000000 -0.34920000000000 -0.68950000000000 H (8d) 0.90020000000000 0.84920000000000 -0.18950000000000 H (8d) 0.40020000000000 -0.34920000000000 1.18950000000000 H (8d) 0.09980000000000 0.84920000000000 0.68950000000000 H (8d)