34
x2-Ph-N2-OTf-v2_RB3LYP-aug-cc-pVDZ-Opt
 C        -4.129251070978     -0.449608982670     -1.026353388562
 C        -4.261936928929     -0.895964949894      0.299344264589
 C        -5.463556178819     -1.380830964253      0.856841893793
 C        -6.578068833169     -1.416671825017      0.029372944915
 C        -6.480671290389     -0.980346652427     -1.301789271807
 C        -5.270890311061     -0.502865528438     -1.822111199517
 H        -3.168094016224     -0.076183219753     -1.376185780426
 H        -5.505810584891     -1.711457611848      1.893110548565
 H        -7.525783681517     -1.783782292577      0.420406198210
 H        -7.364210255235     -1.012857717193     -1.939419482715
 H        -5.214237057666     -0.164653275723     -2.855600225924
 N        -3.155721829239     -0.873798351708      1.143555309616
 N        -2.333148354127     -0.905382071898      1.893102962255
 S         0.011689832582      0.422355484441     -0.155840399293
 O         0.137379128891     -0.685867813721      0.857708621148
 O         1.137845494887      0.457422294181     -1.150026885602
 O        -1.368928783955      0.584106897173     -0.719103474378
 C         0.263805479377      2.000062510843      0.858934175505
 F         1.479395655747      1.982334676514      1.438819864562
 F        -0.670493420649      2.078770522169      1.824608687627
 F         0.173838112186      3.084559019590      0.079527247592
 H         2.366444490938     -0.964579222141      0.248283253576
 C         3.420713334336     -1.237046346469      0.222946740073
 C         4.269602886502     -0.759848153216     -0.791554560193
 C         4.000096575157     -2.064467943184      1.181105506138
 C         5.643730479023     -1.066433310570     -0.889103764545
 C         5.361009304692     -2.389628476344      1.116065380159
 H         3.378161284139     -2.453658178573      1.985627927993
 C         6.179551560518     -1.894386152762      0.087589961492
 H         6.249986399516     -0.664846887414     -1.698998587249
 H         5.795651581308     -3.037901428242      1.877063892770
 H         7.236132184733     -2.155234215176      0.050606571807
 N         3.750440441793      0.070234164169     -1.776297044412
 N         3.393428370521      0.736256002132     -2.591137887762
