%chk=000236386.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236386

0 1
O 2.128036 -0.480368 -0.695561
O 0.962593 -1.333719 1.079922
O -5.562926 1.004396 1.261310
O -5.626434 1.922022 -0.696477
N -5.095172 1.230093 0.157311
C -1.333989 -0.534689 -0.797650
C -0.027445 -1.182504 -1.159997
C -1.913290 -0.757377 0.462704
C -1.989579 0.272520 -1.742378
C -3.789875 0.619523 -0.172323
C -3.140618 -0.181124 0.781430
C -3.219289 0.851869 -1.433428
C 1.016281 -1.031222 -0.081606
C 3.338224 -0.199916 -0.037770
C 4.321569 0.256600 -0.930407
C 3.559974 -0.335087 1.332055
C 5.572418 0.587634 -0.410979
C 4.826287 0.004218 1.823451
C 5.826662 0.462208 0.961951
H -0.190294 -2.274160 -1.340266
H 0.368213 -0.788779 -2.128194
H -1.390825 -1.374497 1.203035
H -1.541255 0.453915 -2.719640
H -3.602682 -0.344655 1.762138
H -3.742815 1.484396 -2.159599
H 4.098754 0.345956 -1.990734
H 2.778519 -0.694285 2.005119
H 6.356277 0.945944 -1.078386
H 5.027396 -0.091907 2.890933
H 6.806886 0.723195 1.356337


%chk=000236386-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236386

0 1
O 2.048673 -0.640877 -0.709696
O 1.007589 -1.778746 1.074022
O -5.435987 1.322921 1.258433
O -5.228034 2.425840 -0.727425
N -4.837111 1.548830 0.136726
C -1.339633 -0.765743 -0.783137
C -0.104272 -1.598271 -1.120691
C -2.032959 -0.969553 0.439904
C -1.810009 0.216075 -1.692007
C -3.626241 0.751554 -0.179157
C -3.178512 -0.213517 0.750102
C -2.956457 0.981211 -1.399627
C 1.019195 -1.376093 -0.108073
C 3.258922 -0.221192 -0.057975
C 4.140947 0.458688 -0.926652
C 3.575127 -0.435377 1.303515
C 5.369187 0.937458 -0.426508
C 4.812790 0.054103 1.783695
C 5.709983 0.736547 0.932414
H -0.361421 -2.673158 -1.080257
H 0.261613 -1.362314 -2.130981
H -1.661206 -1.714436 1.151200
H -1.276263 0.382492 -2.633984
H -3.726959 -0.354209 1.685061
H -3.336183 1.740601 -2.088011
H 3.852941 0.602162 -1.972309
H 2.886031 -0.964441 1.961784
H 6.056069 1.465642 -1.096157
H 5.070144 -0.104349 2.836597
H 6.663637 1.108352 1.321498


