%chk=000187697.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187697

0 1
O 4.090688 0.277472 0.388531
O 2.883581 -0.231966 2.234240
N -0.056267 -2.140334 -0.007029
N 2.619468 -0.754425 -2.438503
C -4.018281 0.092083 0.341011
C -3.014985 -1.002056 -0.050744
C -3.359919 1.437076 0.677984
C -2.202113 -1.498746 1.150326
C -2.789908 2.140138 -0.560923
C -1.222438 -2.624150 0.786691
C -2.134727 3.479894 -0.196687
C -1.552760 4.174958 -1.425224
C -0.132403 -2.282829 -1.475540
C 0.936647 -1.465145 0.622129
C 2.064542 -0.875161 0.069521
C 2.999860 -0.273288 1.022299
C 2.370909 -0.809345 -1.307039
C 5.080787 0.902933 1.248974
H -4.741145 0.232304 -0.487716
H -4.623468 -0.244747 1.205347
H -3.559609 -1.847201 -0.513982
H -2.332276 -0.611858 -0.832501
H -2.558215 1.288730 1.427496
H -4.106664 2.093958 1.166412
H -2.887994 -1.866808 1.940757
H -1.659119 -0.645372 1.607523
H -3.591983 2.305214 -1.305397
H -2.048429 1.485429 -1.058968
H -0.846461 -3.113314 1.716129
H -1.742827 -3.423796 0.211961
H -1.334579 3.317190 0.552223
H -2.875878 4.142291 0.291556
H -1.091405 5.132229 -1.156998
H -2.321996 4.380960 -2.177703
H -0.778695 3.564946 -1.905990
H -1.036474 -2.833353 -1.780642
H 0.746612 -2.839439 -1.857063
H -0.152746 -1.296988 -1.979500
H 0.849056 -1.401053 1.733572
H 4.620650 1.729870 1.798271
H 5.490713 0.159274 1.939139
H 5.827354 1.251724 0.527357


%chk=000187697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187697

0 1
O 4.104048 0.314044 0.125672
O 2.836813 -0.017914 2.059573
N -0.091509 -2.177311 0.044633
N 2.680228 -1.103796 -2.634256
C -4.129190 0.040318 0.035168
C -3.025709 -1.027997 -0.172422
C -3.629904 1.422581 0.528893
C -2.254619 -1.376946 1.120747
C -2.627782 2.116933 -0.422570
C -1.219087 -2.514848 0.961594
C -2.250699 3.544262 0.036123
C -1.238879 4.231368 -0.906229
C -0.167990 -2.598000 -1.372489
C 0.938978 -1.443465 0.540780
C 2.079892 -0.920007 -0.081200
C 3.000857 -0.188089 0.819544
C 2.399636 -1.026465 -1.470780
C 5.082245 1.064577 0.943413
H -4.668092 0.180160 -0.924155
H -4.874445 -0.352648 0.757826
H -3.497653 -1.950970 -0.570301
H -2.314909 -0.681086 -0.947311
H -3.171777 1.325711 1.534521
H -4.511062 2.083498 0.660797
H -2.976653 -1.686171 1.904718
H -1.733297 -0.480603 1.509286
H -3.062558 2.163054 -1.443378
H -1.700252 1.513969 -0.506680
H -0.794284 -2.768122 1.951102
H -1.710179 -3.425327 0.571972
H -1.829990 3.497224 1.061520
H -3.171495 4.159048 0.106245
H -0.987634 5.249963 -0.557728
H -1.645943 4.315701 -1.931661
H -0.297625 3.653269 -0.967022
H -1.083134 -3.190869 -1.520126
H 0.706203 -3.214480 -1.643467
H -0.196491 -1.729352 -2.052378
H 0.880059 -1.224377 1.615650
H 4.599100 1.935306 1.418335
H 5.506186 0.414957 1.727922
H 5.855698 1.380201 0.229418


