%chk=000196824.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196824

1 1
O -1.412554 0.538771 1.675449
O 3.012624 -0.880106 -1.299005
O 4.495978 0.495183 -0.249393
N -3.495644 -1.054718 -1.002030
C -2.248466 1.682487 1.300060
C -3.120018 1.239429 0.087366
C -1.366116 2.887108 0.964090
C -3.634253 -0.189807 0.259220
C -0.353843 2.574869 -0.141821
C -3.078797 1.898798 2.557873
C 0.251168 1.208043 0.001315
C -0.267163 0.293954 0.933254
C -4.058569 -2.430172 -0.703805
C -4.272652 -0.449211 -2.149700
C -2.042315 -1.198024 -1.390902
C 1.383789 0.833069 -0.748001
C 0.315196 -0.966370 1.195537
C 1.462219 -1.330175 0.469694
C 1.947155 -0.431936 -0.502833
C 2.002861 1.731881 -1.760742
C -0.245832 -1.849446 2.259633
C 2.162439 -2.621760 0.711726
C 4.299955 -0.363060 -1.064263
C 5.229749 -1.062406 -1.985427
H -2.515517 1.352395 -0.836382
H -3.961674 1.951950 -0.024479
H -0.814117 3.189388 1.883857
H -1.980406 3.766145 0.692960
H -3.053959 -0.691654 1.085736
H -4.701128 -0.182605 0.575014
H 0.457335 3.339788 -0.106814
H -0.817996 2.685843 -1.142706
H -3.726423 2.780098 2.479270
H -3.706275 1.036478 2.807133
H -2.426362 2.054805 3.434204
H -5.129708 -2.387083 -0.432605
H -3.523775 -2.914530 0.136161
H -3.969574 -3.107508 -1.574389
H -5.338855 -0.309162 -1.891262
H -3.874334 0.542901 -2.434841
H -4.232869 -1.085095 -3.054134
H -1.446576 -1.673561 -0.581171
H -1.563006 -0.211778 -1.567423
H -1.911636 -1.803781 -2.303749
H 2.822711 2.313440 -1.296272
H 2.455957 1.164406 -2.589152
H 1.304538 2.448579 -2.205822
H -1.133064 -1.412573 2.741195
H -0.507032 -2.844739 1.882366
H 0.494449 -1.996628 3.065710
H 2.727250 -2.585048 1.658778
H 1.472076 -3.472039 0.781110
H 2.888581 -2.854663 -0.084156
H 5.983558 -1.636763 -1.418697
H 5.787587 -0.340503 -2.606356
H 4.719432 -1.765102 -2.664179


%chk=000196824-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196824

1 1
O -1.309897 0.510718 1.691205
O 3.297368 -0.781081 -1.287005
O 4.677701 0.701715 -0.100870
N -3.864649 -1.119292 -0.962376
C -2.187450 1.632951 1.244893
C -2.956345 1.142647 -0.029307
C -1.304796 2.860689 0.936130
C -3.704911 -0.169610 0.258810
C -0.267026 2.569488 -0.167929
C -3.123025 1.889794 2.434700
C 0.374363 1.193918 -0.014495
C -0.138801 0.250999 0.915604
C -4.753933 -2.287099 -0.535999
C -4.522159 -0.392023 -2.130323
C -2.504201 -1.673809 -1.389362
C 1.536162 0.853002 -0.762922
C 0.484811 -1.001854 1.164136
C 1.658961 -1.331410 0.432081
C 2.145446 -0.399084 -0.517450
C 2.133487 1.816247 -1.770722
C -0.061772 -1.948022 2.218682
C 2.390981 -2.634718 0.685013
C 4.553429 -0.168864 -0.978520
C 5.627228 -0.748664 -1.865700
H -2.205563 0.998582 -0.826868
H -3.648089 1.937571 -0.360921
H -0.786188 3.128018 1.875153
H -1.938413 3.722533 0.656250
H -3.143433 -0.750008 1.012245
H -4.727758 0.014984 0.629302
H 0.518759 3.345832 -0.129667
H -0.728803 2.675176 -1.172287
H -3.858395 2.677076 2.190465
H -3.666853 0.977411 2.736782
H -2.535584 2.222937 3.306162
H -5.751942 -1.904343 -0.274229
H -4.302062 -2.778135 0.339019
H -4.834822 -3.004332 -1.367116
H -5.485606 0.023434 -1.797205
H -3.864951 0.419926 -2.470752
H -4.686012 -1.106979 -2.951465
H -2.055836 -2.210827 -0.540176
H -1.837397 -0.851504 -1.682878
H -2.652015 -2.356784 -2.240125
H 2.865810 2.485811 -1.280506
H 2.670886 1.272352 -2.565210
H 1.367312 2.448702 -2.249648
H -0.929551 -1.511671 2.734997
H -0.355865 -2.925523 1.786378
H 0.705506 -2.169756 2.983290
H 2.963199 -2.586606 1.631894
H 1.693334 -3.486173 0.776641
H 3.101706 -2.854286 -0.125915
H 5.769202 -1.819719 -1.636603
H 6.573400 -0.213606 -1.702916
H 5.331152 -0.678929 -2.926166


