%chk=000218175.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218175

0 1
S 1.755681 3.051202 -0.478794
S 1.318292 3.558983 1.446991
N 2.445700 -0.218995 -1.508199
N -1.202063 1.111451 0.592580
N 3.635304 1.356458 -2.743865
N -1.904723 3.289285 1.455937
C 1.838258 -0.893697 -0.341198
C -2.373698 0.890861 -0.289041
C 2.795254 -1.029011 0.866917
C 1.370558 -2.268090 -0.876854
C -1.908583 -0.048599 -1.425120
C -3.544124 0.354675 0.566047
C 2.034117 -0.967715 2.196345
C 0.981835 -3.281255 0.206581
C -2.022957 -1.543486 -1.112317
C -4.676374 -0.260433 -0.264493
C 1.254754 -2.246826 2.524945
C 0.273104 -2.675537 1.426127
C -3.392830 -2.129210 -1.474575
C -4.499320 -1.771493 -0.473959
C 2.999240 0.948597 -1.523115
C -1.009653 2.186617 1.288801
C 3.180847 1.950525 -0.406658
C 0.247885 2.271389 2.110780
H 0.925214 -0.308164 -0.024559
H -2.705605 1.849623 -0.774042
H 3.562034 -0.228221 0.852037
H 3.365909 -1.973967 0.791307
H 2.162413 -2.705053 -1.518131
H 0.504127 -2.097095 -1.554754
H -0.849520 0.186932 -1.669602
H -2.485903 0.189753 -2.338327
H -3.938536 1.177680 1.191941
H -3.157360 -0.397269 1.284994
H 2.748884 -0.762174 3.016999
H 1.328065 -0.101089 2.180122
H 1.885445 -3.829331 0.539348
H 0.326295 -4.048258 -0.251505
H -1.792211 -1.719145 -0.039167
H -1.226991 -2.086915 -1.669413
H -4.759758 0.248035 -1.243367
H -5.640657 -0.080624 0.250393
H 1.966387 -3.071414 2.727553
H 0.696531 -2.093115 3.469639
H -0.430200 -3.420417 1.845674
H -0.358145 -1.813564 1.112557
H -3.311064 -3.232320 -1.537821
H -3.685543 -1.793266 -2.488292
H -5.456447 -2.204148 -0.825731
H -4.289739 -2.258054 0.498820
H 3.269776 1.424425 0.571832
H 4.122134 2.530128 -0.513570
H 0.030952 2.527465 3.170362
H 0.767960 1.272468 2.139788
H 3.482313 0.717515 -3.522139
H 3.442205 2.310405 -3.023525
H -2.592908 3.416165 0.723914
H -1.488762 4.174509 1.718403


%chk=000218175-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218175

0 1
S 1.919398 3.163060 -0.610232
S 0.941526 3.839673 1.336756
N 3.697636 -0.006244 -1.126008
N -1.632154 0.885761 0.419950
N 4.795325 1.887423 -1.932992
N -1.897121 3.290075 0.153912
C 2.771182 -0.713760 -0.210174
C -2.763332 0.579106 -0.501016
C 3.579195 -1.487259 0.876141
C 1.859960 -1.613883 -1.091371
C -2.489151 -0.786889 -1.187107
C -4.095227 0.643591 0.306395
C 2.793764 -1.660842 2.200664
C 1.129207 -2.775876 -0.369868
C -2.911088 -2.050424 -0.395670
C -5.322545 -0.030346 -0.359961
C 1.622230 -2.672825 2.168527
C 0.572940 -2.467904 1.046535
C -4.386201 -2.464805 -0.631870
C -5.456201 -1.535043 -0.010468
C 3.958586 1.269429 -1.001369
C -1.308884 2.133561 0.665601
C 3.435389 2.219443 0.077771
C -0.206947 2.362134 1.690276
H 2.104328 -0.004126 0.332220
H -2.827908 1.333265 -1.326877
H 4.502517 -0.912051 1.086136
H 3.907788 -2.469466 0.483295
H 2.491994 -2.026284 -1.901140
H 1.117718 -0.951496 -1.579155
H -1.403136 -0.817692 -1.395814
H -3.001460 -0.803381 -2.170577
H -4.316626 1.707369 0.525712
H -3.914777 0.163878 1.288493
H 3.498603 -1.971657 2.998781
H 2.402324 -0.665722 2.506252
H 1.810591 -3.647825 -0.287714
H 0.299062 -3.103909 -1.027683
H -2.711449 -1.902290 0.684091
H -2.265365 -2.893084 -0.714111
H -5.289437 0.103543 -1.460962
H -6.240884 0.485315 -0.014703
H 2.038645 -3.697381 2.065617
H 1.113248 -2.642458 3.153982
H -0.272062 -3.156577 1.249026
H 0.145501 -1.444980 1.080206
H -4.545261 -3.488211 -0.234190
H -4.554770 -2.529330 -1.727921
H -6.457066 -1.894659 -0.326225
H -5.424406 -1.632073 1.094792
H 3.101675 1.664996 0.965062
H 4.192843 2.962288 0.374501
H -0.635997 2.621432 2.677611
H 0.386850 1.442202 1.780704
H 5.152971 1.322146 -2.700456
H 5.043229 2.870007 -1.865185
H -2.636068 3.229986 -0.542516
H -1.406900 4.178266 0.269932


