%chk=000262571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262571

0 1
O 4.407782 -0.098184 1.683496
O 3.538536 -1.705905 0.382717
O -1.589309 -2.687764 -2.045050
O 0.441260 -2.430928 -1.362333
O -4.736480 1.980072 0.400610
O -5.118575 0.268947 -0.868675
N 1.064873 -0.509576 0.286878
N -0.741349 -2.090955 -1.406442
N -4.384262 0.974872 -0.197665
C 2.105772 0.206713 1.084475
C 2.399831 1.634307 0.584119
C 2.772260 1.855544 -0.900323
C 1.725940 0.205134 2.572347
C 1.592120 1.659985 -1.855649
C 3.974412 1.022664 -1.348613
C 3.384650 -0.662722 0.967659
C -0.235126 -0.127477 0.141481
C -1.145989 -0.907722 -0.661182
C -0.766940 1.046929 0.783344
C -2.501800 -0.536595 -0.757594
C -2.086182 1.394096 0.673620
C -2.973923 0.592269 -0.099658
H 3.235131 2.031678 1.206468
H 1.524904 2.279389 0.818763
H 3.073155 2.938698 -0.963245
H 0.865337 0.852801 2.786567
H 1.460451 -0.799701 2.930741
H 2.561467 0.561003 3.195135
H 1.405093 -1.365717 -0.235897
H 0.668436 2.103983 -1.470563
H 1.394577 0.603104 -2.066907
H 1.796820 2.131591 -2.825638
H 4.799561 1.071379 -0.629940
H 3.719814 -0.032816 -1.508947
H 4.363334 1.387245 -2.308466
H -0.090130 1.677437 1.366737
H -3.190568 -1.152951 -1.366682
H 5.244666 -0.643751 1.642417
H -2.487451 2.288424 1.170093


%chk=000262571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000262571

0 1
O 4.422165 -0.276606 1.615118
O 3.324063 -1.823060 0.284272
O -1.688583 -2.820824 -1.956807
O 0.442285 -2.521571 -1.219397
O -4.888432 2.016046 0.356885
O -5.251674 0.165620 -0.936152
N 1.018636 -0.472836 0.313175
N -0.812604 -2.150668 -1.291044
N -4.485587 0.936245 -0.235916
C 2.098494 0.196086 1.080276
C 2.470559 1.644014 0.590660
C 2.856565 1.916398 -0.896641
C 1.782280 0.219506 2.613267
C 1.712888 1.691436 -1.917379
C 4.146963 1.195926 -1.361065
C 3.313911 -0.746883 0.918233
C -0.295821 -0.121966 0.189102
C -1.225920 -0.929128 -0.591030
C -0.860043 1.059379 0.794664
C -2.586163 -0.582093 -0.723639
C -2.201358 1.401061 0.662559
C -3.068593 0.572501 -0.098636
H 3.317956 1.957995 1.229152
H 1.626650 2.311207 0.848914
H 3.080183 3.005369 -0.905678
H 0.913031 0.858045 2.835213
H 1.558973 -0.799390 2.974361
H 2.651622 0.609070 3.165971
H 1.283201 -1.352815 -0.180789
H 0.770453 2.169738 -1.592123
H 1.515232 0.617813 -2.081957
H 1.991517 2.128884 -2.893815
H 4.981783 1.356979 -0.654542
H 3.991647 0.108362 -1.480624
H 4.458991 1.585265 -2.347412
H -0.215755 1.718227 1.374644
H -3.250062 -1.217474 -1.315448
H 5.179332 -0.911858 1.499966
H -2.606685 2.301500 1.131860


