%chk=000298382.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298382

0 1
O -0.835805 3.128806 1.532089
O -6.089971 -1.236876 0.110272
O -4.748745 -2.714358 -0.895030
N -0.290474 -0.024954 -1.066710
N 0.499877 2.037762 0.072637
C 0.706673 1.085318 -1.048547
C 2.123805 0.530543 -1.029917
C -1.538449 0.147265 -0.443490
C 2.636954 -0.240434 0.068460
C -1.822583 1.304253 0.319362
C -0.740133 2.244401 0.698398
C 3.968789 -0.732964 -0.014131
C 2.917438 0.788125 -2.127426
C -2.547116 -0.827152 -0.638473
C -3.121365 1.522464 0.803983
C 1.875843 -0.539300 1.244956
C 4.764120 -0.447138 -1.168092
C 4.249997 0.297873 -2.198831
C -3.822051 -0.589475 -0.131195
C 4.504975 -1.511890 1.061689
C -4.126001 0.585529 0.576607
C 2.414139 -1.286542 2.262156
C 3.746700 -1.783613 2.171091
C -4.860502 -1.631710 -0.366905
H 0.520546 1.662900 -2.009937
H 0.091605 -0.971378 -1.108731
H 1.316412 2.547487 0.414273
H 2.539216 1.373248 -2.968129
H -2.338559 -1.742798 -1.196312
H -3.324281 2.433558 1.378455
H 0.859778 -0.155767 1.338612
H 5.783656 -0.831829 -1.210272
H 4.846480 0.523965 -3.082227
H 5.526785 -1.881468 0.978726
H -5.139709 0.748669 0.948582
H 1.832415 -1.508480 3.157410
H 4.145384 -2.374826 2.994663
H -6.792042 -1.927412 -0.043663


%chk=000298382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298382

0 1
O -0.975060 3.237159 1.504626
O -6.333416 -1.081897 -0.141281
O -4.872914 -2.625204 -1.073711
N -0.292894 -0.205155 -0.653898
N 0.454979 1.857033 0.291055
C 0.661135 0.906936 -0.827924
C 2.105175 0.422128 -0.921560
C -1.618939 0.080869 -0.326983
C 2.756222 -0.303271 0.149394
C -1.918437 1.324607 0.319762
C -0.810260 2.236010 0.741300
C 4.135163 -0.719348 -0.038828
C 2.807184 0.705017 -2.099794
C -2.670117 -0.835934 -0.581127
C -3.253470 1.638823 0.663283
C 2.110481 -0.631220 1.391065
C 4.812170 -0.408062 -1.264311
C 4.161929 0.292063 -2.279545
C -3.996857 -0.504092 -0.226042
C 4.804842 -1.437350 1.006941
C -4.300441 0.741720 0.390466
C 2.791558 -1.330916 2.390097
C 4.148863 -1.739337 2.200839
C -5.054326 -1.507459 -0.530707
H 0.427739 1.437396 -1.783234
H -0.063795 -1.088791 -1.108612
H 1.244444 2.438101 0.583479
H 2.304114 1.257224 -2.903114
H -2.479085 -1.802355 -1.061166
H -3.433248 2.592191 1.170646
H 1.074069 -0.324886 1.547848
H 5.852904 -0.729928 -1.389287
H 4.681403 0.528996 -3.213514
H 5.845796 -1.744552 0.850586
H -5.334549 0.975613 0.652070
H 2.282282 -1.569061 3.330190
H 4.668049 -2.286835 2.994832
H -6.988890 -1.794433 -0.369438


