%chk=000214153.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214153

0 1
O 0.606240 -0.712530 1.635303
O -1.672264 0.692027 0.380248
N 1.279608 2.801637 -0.392442
C 0.576505 0.444592 -0.438182
C 0.920611 -0.916551 0.239224
C 1.026245 1.610902 0.477416
C -0.887985 0.634072 -0.853902
C 0.095699 -2.082276 -0.296943
C 2.423992 -1.209833 0.151776
C 0.680064 4.049310 0.161849
C 2.736067 2.939334 -0.722159
C 0.586156 -2.959945 -1.270562
C 3.150107 -0.924133 -1.014354
C -1.200436 -2.274183 0.211280
C 3.089599 -1.777418 1.246932
C 1.244453 4.534453 1.500422
C 2.916692 3.819265 -1.960548
C -0.205388 -4.021609 -1.723515
C 4.516230 -1.206323 -1.085724
C -1.987223 -3.334466 -0.238915
C 4.456934 -2.059827 1.175469
C -3.014300 0.959591 0.276956
C -1.489446 -4.213367 -1.207826
C 5.173300 -1.776983 0.008998
C -3.718643 1.164722 -0.916498
C -3.655597 1.005058 1.535220
C -5.092791 1.421092 -0.839850
C -5.020546 1.261700 1.576855
C -5.745436 1.470111 0.392451
H 1.160173 0.494169 -1.401174
H 1.908093 1.308290 1.080738
H 0.216997 1.805448 1.219200
H -1.007162 1.599902 -1.382523
H -1.271402 -0.199446 -1.465801
H 0.799837 4.845192 -0.606663
H -0.415649 3.871359 0.257785
H 3.330142 3.348243 0.124113
H 3.142746 1.923958 -0.930843
H 0.507560 -1.566959 2.103112
H 1.588005 -2.833469 -1.680634
H 2.647025 -0.471136 -1.871408
H -1.595296 -1.562412 0.947260
H 2.543463 -1.988663 2.166230
H 0.734104 5.444133 1.833913
H 2.313312 4.763799 1.431261
H 1.121125 3.784167 2.289585
H 3.946453 3.772097 -2.328045
H 2.683552 4.869330 -1.751627
H 2.251714 3.497881 -2.772520
H 0.185012 -4.700834 -2.479357
H 5.069746 -0.980183 -1.995550
H -2.990797 -3.473395 0.160389
H 4.963838 -2.500116 2.032754
H -2.102111 -5.041395 -1.559292
H 6.237338 -1.997800 -0.046432
H -3.227525 1.129904 -1.881566
H -3.070659 0.843618 2.436724
H -5.655498 1.583695 -1.759007
H -5.533788 1.302276 2.537429
H -6.811795 1.669923 0.439267


%chk=000214153-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214153

0 1
O 0.581872 -0.936297 1.731267
O -1.695695 0.733593 0.462056
N 1.154302 2.781900 -0.209123
C 0.607044 0.339276 -0.341421
C 0.957602 -1.059349 0.297860
C 1.143329 1.503243 0.544589
C -0.848919 0.611008 -0.742427
C 0.148635 -2.241400 -0.299876
C 2.490436 -1.281021 0.189972
C 0.674478 3.950588 0.571921
C 2.408744 2.993093 -0.972672
C 0.707007 -3.221357 -1.159331
C 3.168178 -1.192214 -1.056071
C -1.218626 -2.377098 0.077856
C 3.254458 -1.580324 1.344136
C 1.598795 4.429510 1.724716
C 2.287666 4.075769 -2.061710
C -0.077855 -4.295312 -1.639704
C 4.561600 -1.403178 -1.144559
C -2.000171 -3.449066 -0.401448
C 4.648775 -1.796609 1.259632
C -3.037137 1.096764 0.273347
C -1.434126 -4.415011 -1.265847
C 5.310548 -1.711121 0.014346
C -3.644746 1.305064 -0.991494
C -3.797263 1.245879 1.462297
C -5.012118 1.662299 -1.052066
C -5.157803 1.601515 1.383745
C -5.776184 1.812662 0.125829
H 1.151799 0.375326 -1.306729
H 2.150653 1.235869 0.931686
H 0.476211 1.594408 1.416707
H -0.855253 1.578968 -1.282371
H -1.250021 -0.188689 -1.395338
H 0.498084 4.790045 -0.127106
H -0.314469 3.679057 0.986777
H 3.273069 3.234048 -0.303897
H 2.663885 2.030400 -1.456707
H 0.395265 -1.845352 2.079989
H 1.762061 -3.167872 -1.440595
H 2.612131 -0.958957 -1.972042
H -1.662590 -1.621882 0.734989
H 2.754161 -1.610117 2.316393
H 1.129291 5.273649 2.263762
H 2.578823 4.774635 1.347105
H 1.778674 3.618423 2.454042
H 3.209463 4.109433 -2.671606
H 2.138344 5.082347 -1.631199
H 1.432641 3.856711 -2.726203
H 0.377915 -5.043793 -2.298012
H 5.060417 -1.328519 -2.117646
H -3.051489 -3.526522 -0.102022
H 5.218001 -2.023092 2.168504
H -2.039342 -5.249761 -1.636907
H 6.391898 -1.875009 -0.052204
H -3.073368 1.192785 -1.917054
H -3.301438 1.081735 2.424375
H -5.478555 1.822639 -2.031057
H -5.738068 1.716301 2.306406
H -6.834018 2.089981 0.068435


