%chk=000188538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188538

0 1
O -3.664815 -1.721216 0.011102
O 0.448726 -4.622761 -0.570092
N -2.031586 0.791271 -0.700222
N 2.668085 0.096641 -0.874335
N -1.479252 -1.726513 0.742647
C -2.694416 0.452337 0.604372
C 0.414786 0.517081 -0.749385
C 0.610314 -0.855206 -1.165911
C -0.420350 -1.866239 -1.517595
C -0.969764 -2.658397 -0.304415
C -0.702132 1.361052 -0.516766
C -4.104369 1.028582 0.882267
C 1.726924 1.085415 -0.564454
C 1.978974 -1.086585 -1.216409
C -2.717423 -1.085058 0.419527
C 4.130897 0.215404 -0.746502
C -0.498242 2.678100 -0.122056
C 0.099575 -3.568561 0.336358
C 1.928697 2.424903 -0.161687
C -2.848164 1.522167 -1.702835
C -4.705458 0.339520 2.113216
C -4.039321 2.543778 1.101679
C 4.585571 -0.027819 0.702533
C 0.807643 3.201371 0.048821
C 6.107507 0.108293 0.831698
C 6.569324 -0.130859 2.266810
H -2.039468 0.734107 1.469603
H -1.270901 -1.359555 -2.029559
H -0.009322 -2.594577 -2.249984
H -1.829700 -3.293206 -0.655606
H -4.763519 0.807087 0.004655
H 2.499303 -1.989884 -1.484179
H -0.735492 -1.095458 1.070586
H 4.615170 -0.515081 -1.434527
H 4.443291 1.229172 -1.088959
H -1.347279 3.331356 0.063593
H -0.251383 -3.999603 1.290954
H 1.062799 -3.047846 0.493054
H 2.930709 2.817349 -0.028144
H -3.732678 0.908413 -1.949138
H -2.254048 1.634306 -2.626121
H -3.188615 2.521953 -1.382155
H -4.075643 0.445088 3.001471
H -5.688226 0.757761 2.357554
H -4.855223 -0.735274 1.931640
H -3.385286 2.808538 1.939491
H -5.032672 2.949288 1.326623
H -3.668548 3.066528 0.209366
H 4.262524 -1.033561 1.037323
H 4.078492 0.684386 1.383821
H 0.913229 4.241331 0.357317
H 6.611728 -0.609693 0.154524
H 6.428598 1.115835 0.500575
H -0.314590 -5.217970 -0.712622
H 6.119147 0.586156 2.963315
H 6.304107 -1.135747 2.616277
H 7.657663 -0.032002 2.354190


%chk=000188538-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188538

0 1
O -3.688377 -1.611317 -0.246494
O 0.666201 -4.398553 -0.350439
N -2.077680 1.119407 -0.426408
N 2.660246 0.183391 -0.883221
N -1.573675 -1.552170 0.745920
C -2.884766 0.545597 0.687356
C 0.410172 0.613285 -0.598817
C 0.564599 -0.727331 -1.172796
C -0.457521 -1.802471 -1.469681
C -0.987910 -2.539302 -0.188768
C -0.694962 1.450352 -0.200775
C -4.335602 1.076562 0.769015
C 1.749324 1.135427 -0.407095
C 1.938911 -0.930332 -1.323229
C -2.809218 -0.983532 0.424595
C 4.126095 0.291630 -0.827186
C -0.405618 2.683979 0.429386
C 0.095003 -3.365845 0.529308
C 2.022757 2.379693 0.203264
C -2.584929 1.013830 -1.805969
C -5.074884 0.418921 1.958200
C -4.355917 2.616549 0.878766
C 4.722401 -0.092783 0.548320
C 0.923534 3.141569 0.640821
C 6.261448 0.044052 0.572877
C 6.866954 -0.322917 1.944679
H -2.357159 0.797526 1.628625
H -1.336112 -1.398516 -2.002675
H -0.002495 -2.568053 -2.125519
H -1.816951 -3.204166 -0.499196
H -4.856395 0.770009 -0.159513
H 2.449840 -1.812930 -1.706946
H -0.893175 -0.918127 1.178765
H 4.546942 -0.363907 -1.612102
H 4.414300 1.328826 -1.085712
H -1.252891 3.312758 0.723683
H -0.330940 -3.808393 1.453096
H 0.958843 -2.733792 0.800031
H 3.047848 2.738972 0.341260
H -3.085733 0.042877 -1.994863
H -1.742818 1.117521 -2.510759
H -3.315471 1.818708 -2.032076
H -4.575778 0.658340 2.918038
H -6.114010 0.790751 2.019931
H -5.113014 -0.678051 1.844826
H -3.891120 2.950912 1.827384
H -5.395028 2.993782 0.863123
H -3.801902 3.085025 0.045934
H 4.435464 -1.135313 0.789324
H 4.278098 0.549014 1.334167
H 1.089472 4.111297 1.122906
H 6.702204 -0.604821 -0.211528
H 6.543366 1.084811 0.311410
H -0.038564 -5.062366 -0.560209
H 6.469404 0.332954 2.741704
H 6.625759 -1.367044 2.218693
H 7.967326 -0.220399 1.939873


