%chk=000179957.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179957

0 1
O 3.565469 -0.398625 -0.047674
O 0.831336 0.785041 -2.070424
N 0.781171 -0.086313 0.048105
C 1.507989 -0.728091 1.192389
C -0.668634 -0.198181 0.050111
C 2.952948 -0.188309 1.236728
C 1.438522 0.367322 -1.097990
C -1.454023 0.925012 0.383263
C 0.807589 -0.464698 2.523666
C 2.965730 0.395907 -1.079137
C -1.272057 -1.435357 -0.278630
C -0.848784 2.274273 0.668501
C -2.850469 0.782736 0.423847
C -2.667860 -1.543317 -0.224579
C -0.450422 -2.608937 -0.701245
C -3.449999 -0.440958 0.128416
C -0.829758 3.125115 -0.601289
H 1.535025 -1.838241 0.992441
H 3.003916 0.877636 1.514477
H 3.597059 -0.782403 1.910064
H 1.364186 -0.901463 3.360358
H 0.685772 0.607586 2.723463
H -0.201602 -0.901473 2.542339
H 3.375255 -0.057002 -2.005588
H 3.320683 1.440814 -0.992717
H -1.421624 2.792169 1.464271
H 0.181824 2.170946 1.064507
H -3.469187 1.642010 0.676724
H -3.147469 -2.488482 -0.470910
H -1.046122 -3.522019 -0.824538
H 0.035155 -2.407066 -1.670527
H 0.350343 -2.835038 0.019823
H -4.534561 -0.536800 0.164039
H -0.319576 2.593162 -1.424042
H -0.309512 4.073580 -0.442532
H -1.842710 3.348466 -0.953808


%chk=000179957-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179957

0 1
O 3.634256 -0.505391 -0.060008
O 0.843952 0.825779 -2.071187
N 0.809529 -0.144290 0.058830
C 1.541124 -0.745957 1.228242
C -0.649028 -0.223201 0.040923
C 2.996231 -0.247929 1.233017
C 1.459488 0.341868 -1.072180
C -1.426210 0.927101 0.352261
C 0.853801 -0.419282 2.568775
C 2.995751 0.320562 -1.088692
C -1.258678 -1.469676 -0.286324
C -0.808707 2.293965 0.615116
C -2.838098 0.794168 0.375010
C -2.671396 -1.557971 -0.253969
C -0.433321 -2.681049 -0.684337
C -3.459245 -0.436652 0.084674
C -1.004217 3.259812 -0.586007
H 1.563520 -1.846909 1.094540
H 3.032739 0.837521 1.478385
H 3.585649 -0.808334 1.976876
H 1.417976 -0.887563 3.395773
H 0.815904 0.670607 2.744243
H -0.177823 -0.806441 2.596946
H 3.318089 -0.083492 -2.061159
H 3.344996 1.373875 -1.015906
H -1.272980 2.739020 1.517729
H 0.271839 2.193482 0.821442
H -3.449170 1.670909 0.622043
H -3.152189 -2.510423 -0.506506
H -1.055261 -3.409689 -1.231335
H 0.414073 -2.399307 -1.333113
H -0.014517 -3.205979 0.196624
H -4.551457 -0.521363 0.109234
H -0.543712 2.833445 -1.493013
H -0.539429 4.240990 -0.376141
H -2.077876 3.426797 -0.788903


