22
4-NO2PhN2~OOCCF3_UB3LYP-aug-cc-pVDZ-Water-Opt
 C        15.079060257684      7.527428013990     -3.291582114752
 C        14.462564456241      6.587658591247     -2.469810911273
 C        15.071503093220      6.341232946496     -1.230441172741
 C        16.239848466776      6.963497705343     -0.764252590155
 C        16.834733015217      7.896875263359     -1.604373656657
 C        16.242164536959      8.155465395549     -2.843289037561
 H        14.663765856551      7.769350388575     -4.265636153454
 H        13.546911657903      6.055044203674     -2.756589880590
 H        16.658108597099      6.724077078697      0.209947729167
 H        17.740918850881      8.415858555311     -1.306796183379
 N        16.888216646702      9.155617311661     -3.732069605575
 O        16.358854873129      9.379792886672     -4.814866527314
 O        17.912122316920      9.696504243681     -3.328852097797
 N        14.456807421116      5.400925690570     -0.404814859812
 N        13.908895222450      4.640546981643      0.190379394550
 C        11.433707465889      4.143626826090     -2.295410386192
 O        11.884290376394      3.770493775423     -1.188730556570
 O        11.864715473949      4.988843242306     -3.107696482681
 C        10.108078468754      3.409231849794     -2.703311819637
 F        10.295928585608      2.061976507796     -2.796209399681
 F         9.598942217295      3.810192689578     -3.893098374490
 F         9.126882143262      3.602759852545     -1.777085313407
