%chk=000213144.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213144

0 1
O -0.694061 0.529682 0.001091
O -1.028227 -0.848380 1.760250
O 2.968916 1.019435 -1.895270
O 3.373881 2.161186 -0.013683
N 1.853277 -1.299576 -0.067616
C 1.565850 -0.138705 0.887249
C 0.628298 1.007135 0.451646
C 1.359934 -2.577644 0.587282
C 1.194724 -1.170869 -1.416932
C 3.348320 -1.410550 -0.285942
C 1.098756 1.875590 -0.693506
C -1.474116 -0.277337 0.787314
C 2.644612 1.715672 -0.904212
C -2.856173 -0.326543 0.206741
C -3.538162 -1.671193 0.487870
C -4.980065 -1.674926 -0.006084
H 2.540892 0.371473 1.156889
H 1.163414 -0.549934 1.848525
H 0.422328 1.614915 1.368673
H 0.291574 -2.486010 0.876221
H 1.458057 -3.443241 -0.086648
H 1.924783 -2.804209 1.507731
H 1.322603 -2.074800 -2.025185
H 0.124194 -0.925724 -1.342017
H 1.681425 -0.319931 -2.004933
H 3.718450 -0.517496 -0.885013
H 3.911401 -1.417292 0.657492
H 3.614336 -2.300637 -0.872064
H 0.575108 1.638295 -1.637333
H 0.887052 2.941900 -0.498855
H -3.450156 0.509148 0.644028
H -2.831760 -0.111014 -0.884335
H -2.970455 -2.490788 0.004838
H -3.507216 -1.882931 1.578301
H -5.460439 -2.642176 0.188512
H -5.585796 -0.908923 0.493436
H -5.045459 -1.491402 -1.085163


%chk=000213144-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213144

0 1
O -0.667909 0.231049 -0.176325
O -1.366091 -0.148432 2.020150
O 3.439191 1.224079 -0.808871
O 2.953958 3.448824 -0.275405
N 1.972799 -1.400759 -0.300449
C 1.622354 -0.274365 0.727842
C 0.634890 0.837661 0.334647
C 1.120732 -2.627290 -0.016359
C 1.782211 -0.988132 -1.762530
C 3.456232 -1.727069 -0.105827
C 1.092351 1.904411 -0.670588
C -1.615653 -0.144041 0.791301
C 2.639161 2.248868 -0.564789
C -2.941357 -0.504825 0.143302
C -3.765809 -1.515534 0.971485
C -5.161344 -1.757823 0.360807
H 2.574031 0.228946 0.954432
H 1.236032 -0.803329 1.615845
H 0.394235 1.316827 1.304636
H 0.061766 -2.351170 -0.123670
H 1.378679 -3.418130 -0.738700
H 1.314330 -2.979050 1.009095
H 2.109582 -1.833300 -2.391062
H 0.718654 -0.766668 -1.929347
H 2.423468 -0.093650 -1.899321
H 4.006873 -0.805935 -0.365242
H 3.625487 -2.005588 0.946596
H 3.726967 -2.564998 -0.768987
H 0.890977 1.564423 -1.701919
H 0.511817 2.825708 -0.499418
H -3.515514 0.438867 0.034865
H -2.758612 -0.866882 -0.884835
H -3.214078 -2.473912 1.040139
H -3.858627 -1.137654 2.005802
H -5.735406 -2.486160 0.961121
H -5.746484 -0.819895 0.321072
H -5.089795 -2.152872 -0.670195


