%chk=000245560.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245560

0 1
O -0.019247 -1.060868 1.499863
O 0.829448 1.254369 -2.521971
N 0.678216 0.878086 -0.280269
C -0.661157 0.263848 -0.395686
C -1.727210 1.267586 0.001529
C -0.715820 -0.986570 0.511020
C 2.680654 2.012011 -1.172460
C 1.335630 1.350083 -1.414700
C -1.637381 -2.080215 0.095528
C -2.384459 1.989930 -1.005309
C -2.038767 1.501110 1.347883
C 3.608335 1.187142 -0.328625
C -3.362714 2.927271 -0.664074
C -3.019359 2.439103 1.682807
C -2.835014 -1.825687 -0.588145
C -1.287093 -3.399671 0.426118
C -3.684429 3.150222 0.678992
C 3.937494 1.597071 0.971386
C 4.151326 0.000490 -0.845827
C -3.669494 -2.886774 -0.948190
C -2.120201 -4.458081 0.056518
C -3.310876 -4.201756 -0.631260
C 4.806484 0.823510 1.746772
C 5.017699 -0.767659 -0.064929
C 5.347362 -0.358252 1.231783
H -0.811302 -0.050820 -1.473746
H 1.091066 0.902967 0.652507
H 2.514118 3.020687 -0.736068
H 3.147298 2.212264 -2.166874
H -2.119504 1.832893 -2.052606
H -1.515713 0.956962 2.136040
H -3.871874 3.488074 -1.446695
H -3.263304 2.616499 2.729323
H -3.128152 -0.802464 -0.831160
H -0.362112 -3.588069 0.977124
H -4.448519 3.879429 0.942381
H 3.522806 2.516001 1.380147
H 3.894250 -0.322090 -1.854094
H -4.601002 -2.688805 -1.476808
H -1.843782 -5.481039 0.308015
H -3.962010 -5.027218 -0.918702
H 5.060343 1.143290 2.756506
H 5.436622 -1.689090 -0.467305
H 6.021544 -0.959569 1.838359


%chk=000245560-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245560

0 1
O 0.451416 -1.647112 0.705106
O 0.549926 1.870957 -2.590692
N 0.859824 0.581292 -0.688228
C -0.517932 0.072889 -0.707602
C -1.508080 1.039855 -0.026442
C -0.532832 -1.310618 -0.022285
C 2.772087 1.924027 -1.552895
C 1.303123 1.455471 -1.652116
C -1.705842 -2.216665 -0.211307
C -2.244642 1.953921 -0.819925
C -1.659885 1.061302 1.382700
C 3.608007 1.332998 -0.430873
C -3.128608 2.872820 -0.212054
C -2.545221 1.979212 1.989114
C -2.822018 -1.872630 -1.022039
C -1.681950 -3.482089 0.437918
C -3.284683 2.885352 1.193619
C 3.770967 2.024125 0.798140
C 4.232144 0.066334 -0.582738
C -3.890611 -2.779664 -1.178593
C -2.749231 -4.386024 0.280066
C -3.857173 -4.036860 -0.530428
C 4.536958 1.466749 1.847221
C 4.997975 -0.494592 0.463412
C 5.152982 0.204413 1.683030
H -0.813727 -0.020176 -1.770358
H 1.487262 0.197297 0.027941
H 2.728481 3.026130 -1.474976
H 3.219150 1.705427 -2.540394
H -2.088281 1.965947 -1.904448
H -1.086115 0.365328 2.006591
H -3.687524 3.582177 -0.832596
H -2.660097 1.987432 3.078893
H -2.869941 -0.898683 -1.518428
H -0.812672 -3.728922 1.056335
H -3.972294 3.596629 1.664981
H 3.297120 3.004624 0.930743
H 4.118925 -0.480012 -1.527385
H -4.748803 -2.508098 -1.802349
H -2.722626 -5.359006 0.782297
H -4.688845 -4.739324 -0.655394
H 4.654129 2.016047 2.788205
H 5.472062 -1.473173 0.328202
H 5.747296 -0.228906 2.495130


