42
x2-4-CH3O-Ph-N2-OTf-v2_RB3LYP-aug-cc-pVDZ-Opt
 C        -4.111705263546     -0.597366366520     -0.544416803899
 C        -3.926020985466     -1.769149645807      0.216121159728
 C        -4.982681156077     -2.415231200560      0.906425718736
 C        -6.239168351077     -1.861814491832      0.827284948673
 C        -6.456374836131     -0.679604860933      0.070131573809
 C        -5.384798616786     -0.058005303040     -0.612178229473
 H        -3.255660988708     -0.160566584875     -1.059564942179
 H        -4.799112263723     -3.320671428611      1.482038973704
 H        -7.085503834903     -2.315774932040      1.339147853530
 H        -5.540469360115      0.844318620692     -1.196591980627
 N        -2.673813049151     -2.325215726692      0.300327421102
 N        -1.675309646360     -2.813349696552      0.405870830776
 S        -0.035346766192     -0.083136334044     -1.075473966518
 O         0.319482269608     -0.910293342657      0.132067142664
 O         1.114350886847      0.140643757864     -2.015074605682
 O        -1.340471456088     -0.453669852066     -1.718524631223
 C        -0.367294965740      1.639263145238     -0.360174256625
 F         0.715401915676      2.095942406321      0.291574373778
 F        -1.398557354945      1.582293923050      0.511304113264
 F        -0.683757456907      2.506612383372     -1.333117009581
 H         2.562283747432     -0.763254841199     -0.409268665556
 C         3.650891045852     -0.802149664821     -0.394334930148
 C         4.405495943978     -0.416263495297     -1.528289791380
 C         4.346228196601     -1.220994574825      0.718787953489
 C         5.817777816315     -0.445381375192     -1.556017140125
 C         5.762355726592     -1.259818954178      0.722221256999
 H         3.812395479387     -1.526308461552      1.616811784766
 C         6.493869221984     -0.867588301118     -0.427406011702
 H         6.358979325443     -0.139785207499     -2.449777884006
 H         7.579715084959     -0.891833845711     -0.439031275866
 N         3.767817792661      0.006984099231     -2.667066404064
 N         3.298213919669      0.354553411284     -3.617070150020
 O         6.321631328445     -1.680351772130      1.855244383881
 O        -7.711439574616     -0.235110593459      0.064816286773
 C        -8.049821431569      0.957963956786     -0.671863015278
 H        -7.845155595294      0.818123110297     -1.741236088462
 H        -9.121134745719      1.096424883623     -0.511354173392
 H        -7.496207439081      1.820377850686     -0.278430057952
 C         7.756681631112     -1.754445927026      1.969993895532
 H         8.203401955826     -0.759448581365      1.844209887163
 H         7.942483035632     -2.120648396478      2.981936408901
 H         8.164448814174     -2.461267790364      1.235446046494
