12
s-4-NO2C6H3_UB3LYP-aug-cc-pVDZ-Opt
 C        -1.209245242896     -0.421647602236     -0.011155287226
 C        -0.742237486263      0.735585931334     -0.114723981191
 C         0.590343522760      1.099562409395     -0.153744015976
 C         1.391276069738     -0.063678278919     -0.056343879164
 N         2.860218357230      0.114584111386     -0.079808546895
 O         3.289903874486      1.260453205935     -0.183124537668
 O         3.564136725109     -0.888113356345      0.004963768529
 C         0.880432963642     -1.373368661334      0.060931924464
 C        -0.507260145598     -1.615685413418      0.089423020980
 H         1.023487613606      2.091309603943     -0.242880115897
 H         1.583461288020     -2.200788522982      0.129760839115
 H        -0.923247539836     -2.616583426759      0.179250810927
