%chk=000228778.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228778

0 1
O 3.045189 0.940454 0.415830
O 2.997089 -1.259245 -0.400712
C 2.298006 -0.001080 -0.368310
C 1.018968 -0.268750 0.418441
C -0.237266 0.031717 -0.402205
C -1.508928 -0.247427 0.410745
C 4.403154 1.176775 -0.049048
C -2.772518 0.052880 -0.406601
C 5.151792 -0.164340 -0.096157
C -4.044282 -0.225323 0.406213
C 4.342844 -1.174601 -0.910497
C -5.308434 0.073987 -0.410460
C 4.970924 2.148620 0.973670
C -6.581359 -0.204164 0.401504
C -7.843026 0.092400 -0.406234
H 2.183737 0.382442 -1.399232
H 1.025013 -1.327220 0.760446
H 1.039452 0.339412 1.349564
H -0.240836 -0.580945 -1.325324
H -0.228633 1.089047 -0.732889
H -1.505115 0.360785 1.336121
H -1.517979 -1.303320 0.744415
H 4.335724 1.635235 -1.060673
H -2.763385 1.108402 -0.740487
H -2.776772 -0.556120 -1.331168
H 6.166793 -0.038358 -0.508266
H 5.278274 -0.548333 0.937501
H -4.040516 0.383682 1.330780
H -4.053471 -1.280635 0.740843
H 4.707208 -2.210146 -0.784137
H 4.303218 -0.918495 -1.983231
H -5.300921 1.128938 -0.745505
H -5.313700 -0.534266 -1.335255
H 4.400514 3.086950 0.978471
H 4.896164 1.738825 1.990841
H 6.020531 2.383082 0.774556
H -6.591274 -1.260188 0.735452
H -6.578204 0.405127 1.326464
H -7.896092 -0.522340 -1.311921
H -8.745692 -0.109860 0.180917
H -7.883889 1.141598 -0.720060


%chk=000228778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228778

0 1
O 3.361952 0.911978 0.862834
O 2.556200 -0.793025 -0.656579
C 2.302409 0.527671 -0.071335
C 0.988021 0.468402 0.696096
C -0.233809 0.241435 -0.220315
C -1.561243 0.163461 0.565808
C 4.681864 0.988990 0.178146
C -2.795720 -0.016032 -0.345944
C 4.993654 -0.376270 -0.475555
C -4.127742 -0.099656 0.433227
C 3.831363 -0.787181 -1.401379
C -5.364996 -0.238751 -0.482291
C 5.694628 1.420503 1.237020
C -6.697888 -0.324523 0.296081
C -7.929743 -0.442691 -0.627511
H 2.278927 1.275314 -0.905631
H 1.069707 -0.345227 1.440977
H 0.881966 1.417776 1.254535
H -0.082978 -0.690664 -0.797655
H -0.298969 1.066485 -0.961297
H -1.686180 1.085441 1.172193
H -1.510978 -0.678591 1.287252
H 4.605588 1.762474 -0.623163
H -2.845286 0.829867 -1.063633
H -2.669743 -0.934204 -0.957024
H 5.937071 -0.315762 -1.053360
H 5.119253 -1.134454 0.319244
H -4.240243 0.807712 1.063475
H -4.090102 -0.960639 1.133141
H 3.949134 -1.811000 -1.790718
H 3.753370 -0.079937 -2.258710
H -5.404332 0.625117 -1.178824
H -5.253971 -1.143392 -1.116532
H 5.402291 2.389325 1.677128
H 5.739673 0.672994 2.048513
H 6.701973 1.522747 0.793698
H -6.663040 -1.195124 0.982588
H -6.801705 0.573548 0.939099
H -7.864189 -1.346811 -1.262180
H -8.868791 -0.504931 -0.047028
H -8.005094 0.432824 -1.299986


