%chk=000207202.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207202

0 1
O 6.250075 -2.468380 -0.449271
O 1.927106 3.114081 -0.042447
O -6.020734 -2.321766 0.599516
N 4.073785 -0.655799 -0.097784
N 0.815833 1.166039 0.403065
N -0.298105 0.406377 0.458281
C 2.910031 0.181225 -0.526304
C 3.828976 -2.109362 -0.374274
C 5.343225 -0.212248 -0.760509
C 2.085520 0.452843 0.751227
C 5.022741 -2.914401 0.163449
C 6.499788 -1.066680 -0.216775
C 0.849301 2.547111 0.011664
C -0.477410 3.129552 -0.288621
C -1.471519 0.960342 0.163341
C -1.590637 2.355326 -0.216263
C -2.673657 0.105769 0.240316
C -0.500050 4.570070 -0.656051
C -3.586049 0.082731 -0.823170
C -2.902678 -0.693117 1.380230
C -4.732794 -0.713823 -0.761910
C -4.035442 -1.490639 1.462801
C -4.945642 -1.491751 0.383315
C -7.023208 -2.420909 -0.441095
H 2.279427 -0.297168 -1.304410
H 3.244387 1.155509 -0.952223
H 3.686162 -2.327050 -1.454815
H 2.898108 -2.414757 0.149458
H 5.514206 0.856776 -0.507186
H 5.305323 -0.290798 -1.868046
H 2.666979 1.099275 1.450109
H 1.853208 -0.494841 1.286944
H 5.116047 -2.825621 1.260174
H 4.979992 -3.975993 -0.135398
H 7.439670 -0.897998 -0.770254
H 6.654243 -0.904477 0.864644
H -2.584216 2.754462 -0.422745
H 0.519906 4.982488 -0.761293
H -1.007139 5.172130 0.112809
H -1.018730 4.742988 -1.609119
H -3.401432 0.684721 -1.713604
H -2.179824 -0.683196 2.198802
H -5.429882 -0.722426 -1.592475
H -4.235489 -2.113532 2.332176
H -7.498311 -1.449702 -0.605144
H -7.731400 -3.135670 -0.000898
H -6.581591 -2.822015 -1.357734


%chk=000207202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207202

0 1
O 6.310831 -2.507530 -0.179356
O 1.973423 3.224546 0.044628
O -5.928748 -2.652164 0.173367
N 4.117142 -0.611035 -0.087687
N 0.819786 1.210210 0.407486
N -0.290817 0.399759 0.399963
C 2.884587 0.102740 -0.477838
C 3.901656 -2.049352 0.211620
C 5.237938 -0.441649 -1.047089
C 2.084700 0.535972 0.776746
C 5.195326 -2.667535 0.768133
C 6.513169 -1.076731 -0.468557
C 0.867300 2.590652 0.046244
C -0.439878 3.169975 -0.294161
C -1.473536 0.957115 0.053452
C -1.561634 2.358633 -0.287425
C -2.653999 0.054607 0.061844
C -0.458323 4.636478 -0.633765
C -3.895553 0.435769 -0.508342
C -2.561941 -1.242743 0.648294
C -5.012090 -0.428391 -0.497017
C -3.660241 -2.111877 0.667584
C -4.896249 -1.709264 0.096033
C -7.227574 -2.287094 -0.399027
H 2.225627 -0.512950 -1.137857
H 3.162021 1.015871 -1.033809
H 3.591082 -2.611429 -0.705351
H 3.095860 -2.155961 0.961631
H 5.408062 0.638450 -1.212836
H 5.012976 -0.915138 -2.035749
H 2.699367 1.241761 1.357139
H 1.811820 -0.331396 1.397466
H 5.451198 -2.182108 1.734588
H 5.087205 -3.755150 0.914186
H 7.343784 -1.037235 -1.192518
H 6.800263 -0.543694 0.463325
H -2.536221 2.794728 -0.527072
H 0.200882 4.840525 -1.497604
H -0.046697 5.230667 0.202804
H -1.477149 4.989923 -0.863809
H -4.010181 1.412697 -0.989728
H -1.608707 -1.549510 1.087563
H -5.950162 -0.097101 -0.951952
H -3.592849 -3.105480 1.120816
H -7.653164 -1.397554 0.104748
H -7.874246 -3.158618 -0.221656
H -7.147944 -2.096693 -1.486955


