38
x2-4-NO2-Ph-N2-OTf-v2_RB3LYP-aug-cc-pVDZ-Opt
 C        -4.139866450665     -0.275441743683     -0.471228788937
 C        -4.151441204695     -0.533676502468      0.908075451751
 C        -5.277606985396     -0.981171927813      1.627335896642
 C        -6.452338548355     -1.181614905828      0.914156598617
 C        -6.452434774684     -0.930683896681     -0.461286390376
 C        -5.331676866030     -0.485484635196     -1.161957540143
 H        -3.228510182297      0.081704825057     -0.948961821108
 H        -5.226382549154     -1.162713016170      2.699188809997
 H        -7.360764485550     -1.525836551773      1.402800244631
 H        -5.398636283792     -0.305020012805     -2.232237493787
 N        -2.981551909436     -0.347465708431      1.649470328941
 N        -2.107189951690     -0.242737369259      2.329324791275
 S        -0.008902809463      0.841464729781     -0.061414867868
 O         0.226890178737     -0.103004699928      1.090917747509
 O         1.048959266997      0.755105203434     -1.125652898351
 O        -1.429222641430      0.872617349180     -0.541678529766
 C         0.247768436114      2.559052556913      0.690527538377
 F         1.499462359298      2.660018129066      1.174761006752
 F        -0.621630964633      2.747914365375      1.699249692538
 F         0.060665343006      3.509525768277     -0.230893098669
 H         2.372043366823     -0.442838565245      0.368806968142
 C         3.423734817638     -0.719702977786      0.300703386360
 C         4.201575948577     -0.369840976800     -0.814881948901
 C         4.063566572904     -1.434666610845      1.310894173537
 C         5.565344513255     -0.690225373716     -0.973070083788
 C         5.412238343058     -1.758511693748      1.166531730028
 H         3.523136053053     -1.737510581735      2.204527765618
 C         6.175942127413     -1.402650888760      0.050268748394
 H         6.115644995917     -0.389351791323     -1.862465934356
 N         3.610603701371      0.345832699702     -1.855995632885
 N         3.197801194953      0.913988018262     -2.715597732714
 N        -7.722255015641     -1.151773387005     -1.217199021956
 O        -7.694244446314     -0.931296599285     -2.418895706855
 O        -8.687209539028     -1.536630701861     -0.572287663664
 H         7.224956986511     -1.684260400136     -0.002059064762
 N         6.080163463560     -2.527205335511      2.260303916851
 O         7.265129323520     -2.786285571208      2.106908393687
 O         5.388238615548     -2.835721220052      3.219311029242
