%chk=000231165.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231165

0 1
O -3.004536 -0.283348 0.006514
O 3.004544 0.283313 0.005009
O -4.360584 1.560490 0.005772
O 4.360592 -1.560524 0.003859
O -11.237481 1.401621 0.003268
O 11.237489 -1.401658 0.003995
O -11.705309 -0.783427 0.003482
O 11.705318 0.783390 0.005454
N -5.212550 -0.645254 0.005819
N 5.212558 0.645218 0.005303
C -0.666345 -0.375580 0.005446
C 0.666352 0.375545 0.005830
C -1.831455 0.607393 0.006941
C 1.831463 -0.607428 0.004309
C -4.230303 0.358090 0.006005
C 4.230311 -0.358126 0.004637
C -6.617205 -0.406695 0.005256
C 6.617213 0.406659 0.005172
C -7.461205 -1.541103 0.005125
C 7.461214 1.541067 0.005900
C -7.157235 0.892557 0.004844
C 7.157242 -0.892592 0.004359
C -9.386802 -0.064928 0.004166
C 9.386811 0.064891 0.004996
C -8.839688 -1.361585 0.004583
C 8.839696 1.361548 0.005806
C -8.539140 1.056228 0.004303
C 8.539148 -1.056264 0.004275
C -10.850601 0.075046 0.003592
C 10.850610 -0.075083 0.004934
H -0.744107 -1.044024 -0.877911
H -0.743503 -1.045996 0.887364
H 0.743502 1.045975 -0.876073
H 0.744123 1.043974 0.889202
H -1.884691 1.238504 -0.896888
H -1.884062 1.236497 0.912196
H 1.884633 -1.238642 0.908068
H 1.884137 -1.236428 -0.901016
H -4.890761 -1.620143 0.006088
H 4.890769 1.620108 0.005915
H -7.047695 -2.547349 0.005442
H 7.047703 2.547313 0.006528
H -6.500580 1.770663 0.004947
H 6.500588 -1.770698 0.003794
H -9.510717 -2.227518 0.004474
H 9.510726 2.227481 0.006366
H -8.975303 2.061387 0.003977
H 8.975311 -2.061423 0.003649
H -12.227479 1.501023 0.002925
H 12.227487 -1.501060 0.003896


%chk=000231165-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231165

0 1
O -3.083114 -0.323999 0.007208
O 3.083122 0.323962 0.006887
O -4.415116 1.619335 0.005674
O 4.415124 -1.619371 0.004507
O -11.464218 1.397304 0.001407
O 11.464227 -1.397336 0.000965
O -11.831333 -0.896639 0.002228
O 11.831342 0.896606 0.003711
N -5.326051 -0.576392 0.006123
N 5.326059 0.576356 0.006451
C -0.662602 -0.399666 0.006973
C 0.662610 0.399628 0.007322
C -1.869944 0.538759 0.007505
C 1.869952 -0.538797 0.006463
C -4.308118 0.369475 0.006305
C 4.308126 -0.369512 0.005831
C -6.722973 -0.349627 0.005151
C 6.722981 0.349591 0.005571
C -7.569251 -1.495197 0.005157
C 7.569259 1.495160 0.006588
C -7.295303 0.952527 0.004180
C 7.295312 -0.952561 0.003706
C -9.541855 -0.047023 0.003221
C 9.541863 0.046988 0.003865
C -8.962893 -1.343942 0.004202
C 8.962901 1.343907 0.005742
C -8.694604 1.090875 0.003228
C 8.694613 -1.090909 0.002864
C -11.018892 0.062321 0.002221
C 11.018901 -0.062355 0.003022
H -0.713766 -1.054914 -0.883606
H -0.713662 -1.055859 0.896860
H 0.713581 1.055963 -0.882466
H 0.713863 1.054734 0.898000
H -1.895597 1.186652 -0.888110
H -1.895461 1.185781 0.903762
H 1.895683 -1.186910 0.901919
H 1.895391 -1.185598 -0.889953
H -5.006015 -1.547927 0.006729
H 5.006022 1.547889 0.007621
H -7.129024 -2.499958 0.005906
H 7.129031 2.499920 0.008038
H -6.643852 1.828297 0.004174
H 6.643860 -1.828332 0.002938
H -9.624204 -2.216252 0.004192
H 9.624211 2.216216 0.006512
H -9.144409 2.087589 0.002473
H 9.144418 -2.087622 0.001414
H -12.458728 1.396633 0.000835
H 12.458736 -1.396665 0.000380


