%chk=000225637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225637

0 1
O 3.404291 2.708654 0.289270
N -0.971390 -0.670343 -0.213842
N -7.421157 -0.054509 0.069080
C 3.234022 -0.829782 -0.047888
C 4.691826 -0.596081 -0.000073
C 2.568889 0.430320 0.055246
C 4.921497 0.809877 0.132991
C 3.600911 1.527019 0.176799
C 1.196157 0.525406 0.038845
C 2.503250 -1.998878 -0.172308
C 5.755172 -1.477603 -0.062490
C 6.201491 1.320234 0.201711
C 0.448918 -0.679700 -0.085240
C 1.098782 -1.918223 -0.193768
C 7.063490 -0.950460 0.008332
C 7.285337 0.416895 0.137504
C -6.008285 0.030086 0.145281
C -3.193397 -0.029179 0.445057
C -1.734389 -0.039128 0.627470
C -5.383407 0.658028 1.253791
C -5.191435 -0.620308 -0.812330
C -4.002866 0.620452 1.396164
C -3.810896 -0.649930 -0.656790
C -8.207848 0.965486 0.813500
C -8.016537 -0.356744 -1.260393
H 0.696268 1.491570 0.102438
H 2.995121 -2.965969 -0.255872
H 5.599294 -2.548317 -0.163988
H 6.373865 2.392319 0.302587
H 0.505040 -2.827764 -0.301406
H 7.910714 -1.635511 -0.040219
H 8.302202 0.802781 0.189901
H -1.374703 0.509807 1.516825
H -5.982165 1.161982 2.008736
H -5.636721 -1.114398 -1.672716
H -3.543815 1.105687 2.258947
H -3.189536 -1.158975 -1.400741
H -9.277021 0.697082 0.787959
H -8.093630 1.985996 0.414757
H -7.904570 0.967647 1.875906
H -9.099674 -0.529910 -1.149098
H -7.582765 -1.292183 -1.657769
H -7.864135 0.442569 -2.002968


%chk=000225637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225637

0 1
O 3.331761 2.651918 0.649779
N -0.973788 -0.820306 -0.269700
N -7.437163 0.228702 -0.042443
C 3.282214 -0.876512 -0.110043
C 4.739124 -0.606101 -0.009480
C 2.576617 0.340605 0.135167
C 4.923390 0.778328 0.294867
C 3.574706 1.438804 0.397086
C 1.180625 0.414032 0.104136
C 2.558980 -2.046922 -0.408325
C 5.858138 -1.445221 -0.158943
C 6.200197 1.336321 0.453225
C 0.435802 -0.777564 -0.178908
C 1.146664 -1.984668 -0.451841
C 7.154094 -0.883778 -0.000578
C 7.328961 0.489003 0.301503
C -6.050602 0.159698 0.082249
C -3.185974 0.009436 0.334274
C -1.735004 -0.045710 0.476984
C -5.353323 0.930799 1.070658
C -5.269651 -0.689492 -0.776386
C -3.958240 0.849419 1.185784
C -3.878653 -0.757505 -0.648608
C -8.214902 1.106457 0.843590
C -8.129307 -0.566357 -1.067424
H 0.678177 1.374750 0.262589
H 3.068527 -2.994532 -0.614513
H 5.745492 -2.509688 -0.392060
H 6.311757 2.400524 0.686304
H 0.553500 -2.872095 -0.694691
H 8.035418 -1.525296 -0.114537
H 8.339654 0.894751 0.417152
H -1.306981 0.592859 1.280256
H -5.903367 1.591336 1.746203
H -5.760264 -1.295161 -1.543440
H -3.449178 1.450817 1.950256
H -3.287611 -1.404724 -1.305089
H -9.284645 1.020605 0.597844
H -7.922113 2.169572 0.727998
H -8.086640 0.829678 1.909255
H -9.212021 -0.375300 -1.008930
H -7.967025 -1.653183 -0.922547
H -7.791150 -0.302294 -2.089473


