%chk=000278722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278722

0 1
O -2.521493 -2.125027 -0.214993
O -4.995217 -0.222874 1.606222
O -6.041491 -0.641115 -0.331456
O -1.703587 2.272533 -0.847902
N -0.903570 -0.604767 -0.863184
N -3.121550 1.303317 0.658652
C 1.460249 -0.488503 -0.303450
C 1.755753 0.888808 -0.851912
C 2.633872 -1.058673 0.267895
C 3.218668 1.076778 -0.520225
C 3.728728 -0.084967 0.137035
C 0.261159 -1.209997 -0.294698
C 2.616705 -2.328470 0.830347
C 4.037813 2.164183 -0.773125
C 5.056777 -0.145586 0.533441
C 0.245556 -2.501681 0.277267
C 1.406978 -3.041879 0.824434
C -3.242322 -0.155810 -1.404725
C -3.994534 0.711184 -0.379105
C -2.220556 -1.082030 -0.759158
C 5.383436 2.095157 -0.366874
C 5.884186 0.961598 0.274214
C -5.116391 -0.127355 0.243354
C -2.002417 2.074555 0.321877
C -1.227939 2.606852 1.488399
H 1.122032 1.671177 -0.391472
H 1.582782 0.942669 -1.945077
H 3.513465 -2.761820 1.263142
H 3.660039 3.051302 -1.274153
H 5.453305 -1.026597 1.032285
H -0.686835 -3.076899 0.291160
H -0.755112 0.309706 -1.319301
H 1.375030 -4.041731 1.258855
H -3.965182 -0.778933 -1.982804
H -2.772397 0.521100 -2.157050
H -4.493087 1.558775 -0.943644
H 6.040481 2.942238 -0.559479
H 6.928850 0.928914 0.578687
H -3.287660 1.002529 1.623666
H -0.528480 3.392045 1.154087
H -1.859911 3.053685 2.267934
H -0.618863 1.821493 1.964169
H -5.690369 -0.811982 2.014163


%chk=000278722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278722

0 1
O -2.603999 -2.122151 -0.250545
O -5.178453 -0.177017 1.480672
O -6.005755 -0.651771 -0.640379
O -1.566427 2.313631 -0.629764
N -0.873412 -0.616353 -0.806008
N -3.199075 1.291212 0.678246
C 1.497493 -0.511502 -0.288862
C 1.791247 0.840787 -0.932416
C 2.679399 -1.052026 0.291207
C 3.274306 1.034432 -0.635111
C 3.781599 -0.092479 0.080546
C 0.274998 -1.220992 -0.221273
C 2.659311 -2.309330 0.935376
C 4.116882 2.109023 -0.967680
C 5.139717 -0.145047 0.464643
C 0.248743 -2.489082 0.424906
C 1.434965 -3.013730 0.989289
C -3.158747 -0.079439 -1.482590
C -3.987090 0.742467 -0.438854
C -2.192542 -1.050576 -0.793289
C 5.480236 2.056436 -0.580811
C 5.985322 0.938008 0.128734
C -5.150761 -0.106944 0.081334
C -2.065712 2.056692 0.519221
C -1.419335 2.556957 1.804571
H 1.168022 1.661528 -0.521842
H 1.600493 0.828482 -2.025752
H 3.566010 -2.731737 1.381218
H 3.732559 2.976361 -1.516775
H 5.536803 -1.006465 1.013497
H -0.692595 -3.038791 0.479087
H -0.738775 0.331225 -1.179789
H 1.393263 -3.992242 1.480715
H -3.873700 -0.664036 -2.086269
H -2.629256 0.631935 -2.134109
H -4.449759 1.576093 -1.006772
H 6.150169 2.886372 -0.832129
H 7.041784 0.914354 0.419108
H -3.532550 1.055288 1.616725
H -1.235415 3.640597 1.713897
H -2.027433 2.368844 2.705341
H -0.437851 2.066331 1.933201
H -5.917780 -0.771442 1.776982


