20
PhN2~OOCCF3_UB3LYP-aug-cc-pVDZ-Opt
 C         3.878588426573     -0.165609688030      0.826838872542
 C         2.921845102636      0.818467709265      0.592862995857
 C         1.848381983254      0.495027780692     -0.250036060722
 C         1.694283423835     -0.749071208987     -0.860079778943
 C         2.677641877666     -1.708958297725     -0.619994058126
 C         3.758848715158     -1.422832240340      0.220648369956
 H         4.717023385132      0.050056831510      1.488064475669
 H         2.986789300506      1.800435748838      1.056708499647
 N         0.920429274138      1.545821687885     -0.497423506676
 N         0.701674623561      2.643499287863     -0.565925128577
 H         4.512250486558     -2.186852574016      0.412377217714
 H         2.588143953837     -2.690341568950     -1.083664063019
 H         0.819760584883     -0.936426596770     -1.476235129095
 O        -0.866960238492      0.525125397087      1.264449358126
 C        -1.375256940759      0.251558544900      0.174942761268
 O        -0.877706316222      0.388372497028     -0.991305523566
 C        -2.810575084569     -0.367623224634      0.153640481091
 F        -3.641383027555      0.327539653872     -0.659967954945
 F        -2.764880147583     -1.646787408039     -0.309896833571
 F        -3.376829974016     -0.403855502960      1.373441742280
