38
x2-2-NO2-Ph-N2-OTf-v1_RB3LYP-aug-cc-pVDZ-Opt
 C        -3.841028150113     -0.514159151694      1.292900806548
 C        -4.129183986366      0.192528860541      0.116896626280
 C        -5.298216631706      0.973997346471     -0.023439826493
 C        -6.189001822570      1.045139133938      1.033144225903
 C        -5.916422338370      0.341076948549      2.217667182445
 C        -4.757554267323     -0.427127703938      2.344897740164
 H        -2.921348945792     -1.105604423598      1.348322539983
 H        -7.086584204759      1.649547939601      0.920140577011
 H        -6.624383367495      0.400863617682      3.043801429839
 H        -4.554239444857     -0.970755516050      3.266418824037
 N        -3.205163893775      0.064370972889     -0.920063009297
 N        -2.381188338744     -0.132669187183     -1.638915080687
 S         0.032205857733     -1.441457085056      0.370748806180
 O        -0.083272345042     -0.085764903747     -0.291444732969
 O         1.141453995623     -1.518871585424      1.381670357601
 O        -1.283687776867     -2.027976069656      0.787142173059
 C         0.608157446737     -2.584334181989     -1.027032442636
 F         1.800573129587     -2.153828467594     -1.498504632738
 F        -0.277638624696     -2.571555569588     -2.034223870159
 F         0.752314944353     -3.836542300274     -0.583143678261
 H         3.133917154705     -1.381743757961      0.934217154376
 C         4.001181007325     -0.805012343751      0.604917219014
 C         3.896613361260      0.590756844555      0.524575955447
 C         5.215827056706     -1.388960488144      0.235399800169
 C         4.968208645714      1.400581153537      0.087429449051
 C         6.281647379667     -0.598335887278     -0.198962116666
 H         5.317981245018     -2.471840452799      0.288387288860
 C         6.160447863609      0.799024397384     -0.275219832764
 H         7.223857604416     -1.064309753119     -0.485875694796
 H         6.981736847669      1.427237993189     -0.613686673338
 N         2.675613155911      1.138335762744      0.915852282085
 N         1.651329591396      1.400762358960      1.254347051843
 N         4.835363116536      2.869901391971      0.011513283939
 O         5.795955996686      3.504327586331     -0.381872840086
 O         3.750386900390      3.335789584245      0.357681516211
 N        -5.581306942812      1.716412830321     -1.269464128844
 O        -6.613469308222      2.358692139821     -1.321199641901
 O        -4.739181911535      1.623101966117     -2.161124088414
