%chk=000217727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217727

0 1
O 3.428063 -0.080637 -0.091840
O -2.334635 1.908610 2.077613
N -4.805994 0.059704 0.317269
N -2.106883 0.687359 0.136543
C -4.378793 1.366687 0.893409
C -6.118127 0.144059 -0.398550
C -6.528180 -1.260965 -0.866664
C -7.821671 -1.210903 -1.690618
C -2.844397 1.334458 1.129995
C -5.077672 1.732114 2.203079
C -0.681963 0.513106 0.134140
C -0.107901 -0.452243 -0.744524
C -8.243852 -2.602194 -2.156056
C 0.145285 1.289552 0.958566
C 1.276212 -0.600297 -0.777596
C 2.085163 0.194114 0.059873
C 1.534690 1.137243 0.929998
C -0.956090 -1.305908 -1.631693
C 4.368867 0.691134 0.716285
C 5.729801 0.155294 0.364932
C 5.883996 -1.144652 -0.134941
C 6.855456 0.968568 0.566259
C 7.160523 -1.629084 -0.433424
C 8.129029 0.475425 0.271522
C 8.283870 -0.822042 -0.228589
H -4.561834 2.177877 0.136008
H -6.922920 0.590101 0.225223
H -5.984613 0.814191 -1.276961
H -6.660900 -1.934301 0.001893
H -5.711928 -1.708560 -1.468718
H -4.856830 -0.647727 1.060989
H -7.684522 -0.549992 -2.569425
H -8.635208 -0.755302 -1.092236
H -6.144186 1.924623 2.056962
H -4.627555 2.635954 2.645531
H -4.971617 0.947367 2.962094
H -2.625033 0.179556 -0.591203
H -7.475897 -3.069939 -2.783109
H -9.166066 -2.558822 -2.747034
H -8.429159 -3.274244 -1.310206
H -0.297529 2.023607 1.644625
H 1.753561 -1.320788 -1.438725
H 2.148624 1.749492 1.581180
H -1.715139 -1.859486 -1.059291
H -1.473179 -0.705156 -2.394067
H -0.365174 -2.057825 -2.174058
H 4.252835 1.759022 0.455324
H 4.133976 0.524384 1.785071
H 5.000969 -1.766261 -0.296490
H 6.742921 1.980456 0.949496
H 7.278434 -2.637942 -0.825544
H 9.003139 1.104862 0.429707
H 9.277231 -1.201648 -0.458925


%chk=000217727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217727

0 1
O 3.284461 -0.214720 -0.174721
O -2.427564 2.616749 1.956746
N -4.824824 0.206707 0.501488
N -2.245707 0.712898 0.559302
C -4.478559 1.522891 1.116154
C -5.975368 0.207788 -0.441388
C -6.224957 -1.201411 -1.012212
C -7.410347 -1.243693 -2.003603
C -2.933961 1.674854 1.269712
C -5.182433 1.802616 2.463378
C -0.846015 0.530898 0.410205
C -0.392185 -0.556508 -0.406218
C -7.652613 -2.653749 -2.583316
C 0.095785 1.383355 1.037634
C 0.993056 -0.752364 -0.561991
C 1.932618 0.098434 0.068743
C 1.481239 1.172161 0.870399
C -1.380376 -1.483472 -1.093682
C 4.293489 0.625200 0.478091
C 5.674786 0.091510 0.142950
C 5.867073 -1.229616 -0.326754
C 6.802726 0.926885 0.341709
C 7.171229 -1.708878 -0.587906
C 8.105761 0.445808 0.086573
C 8.294614 -0.876428 -0.379409
H -4.781131 2.307717 0.393440
H -6.912480 0.582157 0.035958
H -5.734727 0.903879 -1.268168
H -6.422885 -1.909165 -0.178867
H -5.301315 -1.553797 -1.513427
H -4.962494 -0.505846 1.235330
H -7.219213 -0.530837 -2.831373
H -8.329202 -0.889827 -1.493277
H -6.279125 1.837486 2.332849
H -4.836613 2.765225 2.874546
H -4.938092 1.016668 3.203023
H -2.916804 0.065050 0.100316
H -6.759163 -3.019666 -3.123210
H -8.500507 -2.657391 -3.292158
H -7.880423 -3.380103 -1.780581
H -0.271747 2.207879 1.652620
H 1.369229 -1.573692 -1.180737
H 2.181051 1.850737 1.366266
H -2.022191 -2.016787 -0.364620
H -2.052369 -0.932310 -1.781041
H -0.852685 -2.246322 -1.689107
H 4.189530 1.676612 0.136760
H 4.128044 0.604716 1.577628
H 4.992459 -1.864352 -0.493865
H 6.664622 1.957078 0.695029
H 7.309445 -2.732380 -0.954837
H 8.969418 1.101638 0.244291
H 9.304638 -1.250282 -0.581573


