%chk=000230556.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230556

0 1
O 3.034230 0.978207 1.175042
N -2.247188 -0.026763 -0.147435
N 1.284483 1.334742 -0.257138
N 2.148306 -0.929528 0.201201
C -3.208106 1.126161 -0.155939
C -2.824952 -1.204548 0.581325
C -4.513560 0.711232 -0.854923
C -4.126819 -1.653271 -0.103856
C -5.142982 -0.506273 -0.166543
C -0.932947 0.378600 0.445945
C -0.043491 0.866463 -0.720659
C 1.373412 2.793704 0.067404
C 2.208524 0.492721 0.403074
C 3.107467 -1.699838 1.064453
C 2.051096 -1.449700 -1.192348
C 1.614433 3.598476 -1.208342
C 2.420915 -2.962833 1.580969
C 3.176366 -0.977068 -2.110615
H -3.431041 1.506238 0.864456
H -2.734270 1.959957 -0.717140
H -2.079747 -2.028631 0.536034
H -3.016163 -0.993446 1.655203
H -5.219017 1.561270 -0.861641
H -4.301060 0.469465 -1.915698
H -3.898187 -2.003200 -1.130647
H -4.551288 -2.518844 0.435619
H -6.048095 -0.828185 -0.713573
H -5.478422 -0.237379 0.852757
H -1.017154 1.159757 1.228690
H -0.439548 -0.491607 0.935471
H -0.541213 1.688115 -1.279946
H 0.091853 0.033719 -1.458912
H 2.214121 2.962106 0.787349
H 0.445591 3.130491 0.576502
H 3.424154 -1.059372 1.924386
H 4.035512 -1.953544 0.509614
H 2.029633 -2.561329 -1.142532
H 1.057993 -1.137485 -1.610505
H 2.533271 3.272779 -1.713786
H 0.796353 3.489864 -1.928519
H 1.723149 4.664694 -0.980510
H 3.066865 -3.490791 2.291420
H 2.172417 -3.659287 0.772716
H 1.483459 -2.721335 2.098361
H 3.081078 -1.412887 -3.110906
H 4.165103 -1.251593 -1.724419
H 3.170067 0.115278 -2.226455


%chk=000230556-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230556

0 1
O 2.761391 1.070272 1.545387
N -2.331578 -0.058331 0.042647
N 1.208686 1.357185 -0.205156
N 2.405565 -0.700887 0.045593
C -3.252323 1.066057 -0.264372
C -2.976641 -1.055700 0.935274
C -4.538221 0.562413 -0.951619
C -4.251905 -1.630881 0.285062
C -5.241639 -0.499321 -0.075463
C -1.010428 0.403390 0.527802
C -0.070391 0.755752 -0.656938
C 1.183147 2.823131 0.025742
C 2.160924 0.602905 0.520819
C 3.063400 -1.648031 0.975618
C 2.421660 -1.024272 -1.402611
C 1.424617 3.621724 -1.271703
C 2.375453 -3.028023 0.994603
C 3.824153 -1.395164 -1.937931
H -3.530451 1.617751 0.673942
H -2.731313 1.786782 -0.921624
H -2.250512 -1.866697 1.131117
H -3.246365 -0.602008 1.926382
H -5.212721 1.418905 -1.144672
H -4.268920 0.117626 -1.929086
H -3.964760 -2.177201 -0.634294
H -4.722298 -2.356825 0.976084
H -6.126958 -0.909413 -0.597172
H -5.607522 -0.021017 0.857099
H -1.095507 1.280088 1.216507
H -0.536264 -0.411518 1.106230
H -0.563157 1.480367 -1.330704
H 0.088923 -0.162156 -1.242494
H 1.959478 3.048245 0.775653
H 0.209799 3.112781 0.472963
H 3.032838 -1.180256 1.973066
H 4.136439 -1.762761 0.721023
H 1.713337 -1.848827 -1.624674
H 2.071166 -0.129430 -1.941928
H 2.420189 3.389044 -1.688751
H 0.666814 3.388993 -2.043440
H 1.377699 4.708126 -1.068535
H 2.870315 -3.683901 1.734283
H 2.427240 -3.533403 0.012471
H 1.311123 -2.930598 1.275188
H 3.771406 -1.529566 -3.034229
H 4.206063 -2.336815 -1.505784
H 4.552647 -0.593235 -1.722374


