%chk=000186596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186596

0 1
O 1.547714 -0.052616 -0.606217
O 0.351103 3.142929 0.209309
O 1.629431 -0.430812 1.656614
N 0.599917 0.962055 -0.413841
C -4.332634 1.505388 0.627978
C -3.068371 0.822842 0.158450
C -3.365494 -0.490361 -0.323485
C -5.396184 0.462072 0.374089
C -4.809418 -0.715132 -0.189786
C -1.776589 1.314555 0.159887
C -2.350943 -1.302666 -0.809106
C -0.754371 0.475079 -0.340376
C -6.757615 0.528711 0.612470
C -5.596879 -1.811626 -0.507870
C -1.036134 -0.815780 -0.819655
C -7.549775 -0.588880 0.286598
C -6.980285 -1.736942 -0.263014
C 1.119040 2.225583 0.020980
C 2.607917 2.329112 0.104338
C 1.997585 -0.739024 0.553779
C 3.343446 2.681612 -1.033887
C 3.242572 2.134066 1.337850
C 2.932435 -1.800608 0.123050
C 4.728646 2.840718 -0.932699
C 4.627446 2.296278 1.429240
C 5.368852 2.649968 0.296490
C 3.286251 -2.786258 1.059911
C 3.463629 -1.831592 -1.175634
C 4.168811 -3.803169 0.691043
C 4.346892 -2.851913 -1.535304
C 4.697953 -3.835914 -0.604275
H -4.526637 2.440164 0.067173
H -4.275039 1.786650 1.697240
H -1.555153 2.320611 0.526951
H -2.564786 -2.303040 -1.180561
H -7.212968 1.417624 1.040307
H -5.160748 -2.709948 -0.936355
H -0.234092 -1.439985 -1.211731
H -8.622484 -0.550184 0.468751
H -7.610463 -2.590061 -0.507800
H 2.838899 2.832301 -1.988588
H 2.658508 1.847942 2.216530
H 5.308035 3.117366 -1.812337
H 5.127913 2.147988 2.385422
H 6.448244 2.778286 0.372380
H 2.869443 -2.748576 2.070059
H 3.184785 -1.058740 -1.897244
H 4.445541 -4.570663 1.413373
H 4.762177 -2.880630 -2.542218
H 5.387379 -4.631678 -0.888978


%chk=000186596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186596

0 1
O 1.569910 -0.154157 -0.459300
O 0.437463 2.851210 1.179564
O 1.854568 -0.734378 1.818233
N 0.627280 0.853106 0.000930
C -4.403978 1.505420 0.726726
C -3.120053 0.814508 0.280425
C -3.429289 -0.440516 -0.323506
C -5.486495 0.514290 0.311789
C -4.890443 -0.629136 -0.306111
C -1.800080 1.267094 0.412085
C -2.382642 -1.253260 -0.807190
C -0.747394 0.437477 -0.077294
C -6.881554 0.597772 0.460741
C -5.695065 -1.691516 -0.775702
C -1.049150 -0.814086 -0.687781
C -7.688766 -0.468777 -0.011120
C -7.098369 -1.602682 -0.623600
C 1.178202 2.023992 0.567459
C 2.649778 2.279178 0.395016
C 2.127154 -0.953779 0.628349
C 3.351410 2.045868 -0.816476
C 3.315901 2.911242 1.476937
C 3.028704 -1.996817 0.078089
C 4.705206 2.428464 -0.933559
C 4.673585 3.274209 1.363284
C 5.372717 3.033355 0.156858
C 3.673537 -2.857031 1.007281
C 3.254075 -2.157767 -1.315319
C 4.535542 -3.870809 0.545100
C 4.118305 -3.174939 -1.770108
C 4.759094 -4.031694 -0.843578
H -4.533006 2.490757 0.237521
H -4.410440 1.693532 1.818259
H -1.562973 2.218554 0.887700
H -2.588772 -2.220367 -1.278698
H -7.344947 1.471309 0.933992
H -5.245943 -2.571860 -1.249547
H -0.240660 -1.436224 -1.076102
H -8.777930 -0.417480 0.098284
H -7.737509 -2.417681 -0.981851
H 2.839202 1.584502 -1.665944
H 2.753215 3.115944 2.393292
H 5.237480 2.257608 -1.875727
H 5.183169 3.749154 2.208564
H 6.425720 3.322185 0.064345
H 3.486520 -2.714626 2.076634
H 2.756597 -1.492328 -2.025824
H 5.032047 -4.533484 1.261528
H 4.293232 -3.301286 -2.843692
H 5.429347 -4.820948 -1.201657


