%chk=000188699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188699

0 1
O -1.325811 1.662986 0.821586
O -3.762117 -1.022313 1.523018
O 1.322359 -2.189469 0.774009
O 3.164005 -1.341245 2.644272
O -2.961704 2.967786 1.678790
N 3.343155 0.711297 -0.414456
C -1.870381 0.468821 1.482046
C -3.181682 0.048631 0.776794
C -0.748221 -0.554482 1.348068
C -2.957114 -0.349174 -0.684803
C -0.731621 -1.301147 0.048445
C -1.758419 -1.226592 -0.902843
C 0.391893 -2.108950 -0.247831
C 2.565749 1.777918 -1.135709
C -1.655891 -1.949009 -2.106913
C 3.376342 -1.081823 1.253046
C 2.821467 0.322468 0.923437
C 0.506332 -2.825214 -1.441639
C 2.732322 -2.188338 0.400040
C -0.536562 -2.736786 -2.369684
C 3.324793 2.036376 -2.455148
C 1.149705 1.268125 -1.440501
C 2.494376 3.091433 -0.323148
C -1.955436 2.874104 1.018029
C -1.196063 3.931835 0.298223
H -2.074629 0.733847 2.544211
H -3.951733 0.854755 0.873672
H 0.242659 -0.035263 1.468927
H -0.802301 -1.278301 2.191058
H -3.878005 -0.843538 -1.063838
H -2.833958 0.571871 -1.297917
H -2.456735 -1.888970 -2.840732
H 4.487469 -1.118662 1.162158
H 3.105201 1.022360 1.738189
H 1.701482 0.286262 0.915049
H 1.374188 -3.446135 -1.640212
H 4.324646 0.998645 -0.321792
H 3.095313 -3.192999 0.676569
H 2.874132 -1.992137 -0.677080
H -3.251359 -1.852500 1.399702
H -0.470342 -3.292375 -3.305334
H 4.323352 2.449670 -2.287171
H 2.781556 2.741253 -3.091396
H 3.444956 1.105431 -3.023827
H 1.177178 0.243713 -1.836944
H 0.649579 1.893658 -2.184128
H 0.505703 1.241911 -0.549468
H 1.926506 2.963493 0.603269
H 2.009343 3.883993 -0.900504
H 3.489293 3.456394 -0.051807
H 2.217916 -1.554250 2.812440
H -0.372175 3.520617 -0.310223
H -0.759715 4.650362 1.010502
H -1.859693 4.503856 -0.369299


%chk=000188699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188699

0 1
O -2.543113 1.699990 0.725335
O -3.631397 -1.554395 2.291509
O 1.163797 -1.355278 0.335319
O 3.190788 -1.640089 2.226573
O -3.916653 2.786011 2.273052
N 4.206916 0.569136 -0.663341
C -2.462022 0.501279 1.631595
C -3.692477 -0.401616 1.373279
C -1.142667 -0.207425 1.305760
C -3.734755 -0.838202 -0.100060
C -1.203556 -1.140186 0.101879
C -2.418480 -1.460654 -0.558262
C 0.006955 -1.720140 -0.377817
C 3.906151 1.912117 -1.263142
C -2.409082 -2.350753 -1.663853
C 3.509305 -1.288769 0.834527
C 3.657217 0.245124 0.671186
C 0.020379 -2.592442 -1.488599
C 2.470078 -1.877501 -0.126226
C -1.201142 -2.903988 -2.128127
C 4.747826 2.004646 -2.559196
C 2.401399 1.985981 -1.625650
C 4.283216 3.086939 -0.311616
C -3.304660 2.785717 1.180861
C -3.257047 3.929064 0.189363
H -2.483079 0.861200 2.674902
H -4.612537 0.130440 1.663430
H -0.359705 0.556872 1.149393
H -0.821730 -0.778161 2.199580
H -4.567739 -1.550127 -0.245399
H -3.953923 0.050997 -0.723402
H -3.354542 -2.600207 -2.159231
H 4.482224 -1.775892 0.637029
H 4.273663 0.610874 1.521651
H 2.656625 0.701909 0.771169
H 0.954333 -3.027136 -1.854111
H 5.219680 0.383332 -0.701148
H 2.462163 -2.982928 -0.068375
H 2.677682 -1.531999 -1.156524
H -3.007430 -2.226485 1.911281
H -1.201533 -3.584991 -2.986120
H 5.831271 1.950398 -2.333711
H 4.560763 2.959806 -3.081253
H 4.493772 1.173956 -3.241329
H 2.133229 1.159709 -2.307392
H 2.173927 2.945877 -2.124152
H 1.755231 1.913807 -0.731911
H 3.718330 3.029071 0.636913
H 4.056678 4.063457 -0.779046
H 5.363080 3.064774 -0.070243
H 2.226575 -1.443511 2.360218
H -2.751698 3.633172 -0.741129
H -2.717915 4.779921 0.642781
H -4.283071 4.271495 -0.027022


