%chk=000245017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245017

0 1
O 1.890189 -0.063422 -1.158144
O 6.684114 -0.041415 0.219823
O 5.643370 -1.184783 1.836843
N 0.630667 -0.188148 0.768175
C -0.719783 0.008437 0.138214
C -0.951566 -0.929633 -1.053015
C -1.812374 -0.401144 1.140469
C -0.753098 1.498586 -0.226155
C -1.876645 -0.571227 -2.046638
C -1.577916 -1.376280 2.120226
C -0.239869 1.926362 -1.460508
C -0.324461 -2.181710 -1.120468
C -3.100262 0.146144 1.017699
C -1.192354 2.455566 0.700401
C 1.836817 -0.122593 0.055370
C 3.072246 -0.197170 0.943597
C -2.146851 -1.441578 -3.105197
C -2.599994 -1.759573 2.994931
C -0.219949 3.285003 -1.784268
C -0.595533 -3.049239 -2.183047
C -4.119810 -0.240991 1.889693
C -1.171015 3.814746 0.374581
C -1.504636 -2.681647 -3.178633
C -3.870593 -1.189128 2.887434
C -0.693202 4.232255 -0.871098
C 4.336204 -0.024499 0.104219
C 5.546035 -0.500326 0.845351
H 0.642350 -0.086579 1.782817
H -2.390179 0.388838 -1.999720
H -0.608071 -1.866420 2.199090
H 0.174117 1.191296 -2.161644
H 0.382784 -2.486335 -0.350874
H -3.313823 0.872984 0.232321
H -1.551800 2.150179 1.683048
H 3.099367 -1.176948 1.475298
H 3.037038 0.571040 1.742947
H -2.860236 -1.151873 -3.874623
H -2.403910 -2.513088 3.756482
H 0.173321 3.604347 -2.748313
H -0.094120 -4.014211 -2.232982
H -5.113275 0.193692 1.787688
H -1.524435 4.549175 1.095964
H -1.712581 -3.356742 -4.005917
H -4.664876 -1.487621 3.568968
H -0.681495 5.290275 -1.125489
H 4.242285 -0.583027 -0.863338
H 4.462612 1.033398 -0.221373
H 7.518596 -0.348071 0.665596


%chk=000245017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245017

0 1
O 1.959290 -0.046603 -1.204722
O 6.662465 0.576672 0.679130
O 5.738848 -1.392961 1.485479
N 0.611791 -0.301600 0.688973
C -0.719778 -0.028138 0.057510
C -1.000028 -0.990586 -1.131027
C -1.810101 -0.378730 1.114011
C -0.715985 1.477573 -0.337385
C -2.045082 -0.693827 -2.041679
C -1.618765 -1.457076 2.016414
C -0.338959 1.896009 -1.637604
C -0.331063 -2.230901 -1.249614
C -3.064118 0.283204 1.114944
C -0.926418 2.469661 0.656711
C 1.835869 -0.218895 0.044781
C 3.052217 -0.411729 0.966266
C -2.397787 -1.605670 -3.058899
C -2.635928 -1.838037 2.919693
C -0.214835 3.268913 -1.945075
C -0.681421 -3.145446 -2.266163
C -4.084574 -0.101261 2.010293
C -0.799336 3.841747 0.352720
C -1.716049 -2.838218 -3.178298
C -3.874638 -1.159113 2.924311
C -0.448503 4.249345 -0.955289
C 4.291556 0.292720 0.388778
C 5.583487 -0.286801 0.919410
H 0.620616 -0.314795 1.711655
H -2.590993 0.252194 -1.957398
H -0.686199 -2.032460 1.994947
H -0.114635 1.147220 -2.401233
H 0.473037 -2.482866 -0.551332
H -3.245051 1.106305 0.416544
H -1.193414 2.172074 1.677203
H 3.267898 -1.495526 1.045789
H 2.838684 -0.058014 1.992510
H -3.206242 -1.354643 -3.754808
H -2.464126 -2.673466 3.607583
H 0.080521 3.569015 -2.956603
H -0.142836 -4.096322 -2.347434
H -5.044797 0.426308 1.993021
H -0.972592 4.590034 1.134508
H -1.987241 -3.547736 -3.967943
H -4.666555 -1.455650 3.620710
H -0.350139 5.314119 -1.195163
H 4.276111 0.172142 -0.713997
H 4.278202 1.381079 0.570773
H 7.500994 0.147638 1.002799


