%chk=000273934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273934

0 1
S 2.557436 -0.050895 2.037366
S -3.081183 1.578519 1.131363
O 1.775918 -0.730066 3.058432
O 3.563182 0.913217 2.450408
O -2.183710 2.331429 0.264201
O -4.078872 2.287782 1.908123
N 1.411745 0.718555 1.005327
N -2.146376 0.737072 2.300726
C 1.940947 1.489579 -0.164064
C 2.537212 2.854165 0.245118
C 0.826543 1.668583 -1.217884
C 3.071258 3.594999 -0.985822
C 1.362420 2.418308 -2.442844
C 1.976568 3.768927 -2.048125
C 0.237849 1.314522 1.697040
C -0.823504 0.205994 1.906770
C 3.304572 -1.210848 0.997997
C 4.633329 -1.029914 0.594930
C 2.598341 -2.342716 0.580784
C 5.249794 -1.967777 -0.231112
C 3.208821 -3.286608 -0.247189
C 4.539503 -3.104734 -0.659353
C -3.808418 0.322142 0.204535
C 5.208041 -4.109963 -1.535821
C -4.891977 -0.396645 0.722319
C -3.322984 0.026510 -1.074098
C -5.483554 -1.411424 -0.029477
C -3.909545 -0.987054 -1.831744
C -4.994914 -1.714541 -1.313026
C -5.636889 -2.797008 -2.114016
H 2.753384 0.861400 -0.620562
H 1.770968 3.472315 0.749945
H 3.345711 2.713291 0.993608
H 0.423685 0.683113 -1.510849
H -0.036230 2.223534 -0.777460
H 3.930827 3.046095 -1.414938
H 3.462948 4.584527 -0.682701
H 0.540269 2.578824 -3.165949
H 2.116575 1.800866 -2.966399
H 2.390485 4.272439 -2.940504
H 1.182545 4.436266 -1.658246
H 0.509162 1.781362 2.667690
H -0.195528 2.139505 1.067932
H -0.930171 -0.400061 0.979787
H -0.471927 -0.502776 2.700951
H -2.159394 1.092892 3.264598
H 5.192501 -0.149208 0.936107
H 1.564563 -2.496897 0.906188
H 6.283210 -1.823560 -0.540385
H 2.653280 -4.165714 -0.566906
H 4.512540 -4.856669 -1.941885
H 5.982240 -4.662259 -0.980015
H 5.707355 -3.636091 -2.393727
H -5.283650 -0.160115 1.717657
H -2.482631 0.599336 -1.485695
H -6.326546 -1.966959 0.377173
H -3.528576 -1.209518 -2.826294
H -6.665223 -2.521905 -2.396580
H -5.702319 -3.737333 -1.546533
H -5.098905 -3.020911 -3.044872


%chk=000273934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273934

0 1
S 2.811562 0.077114 2.013886
S -3.120432 1.486411 1.014968
O 1.941471 -0.576197 3.232253
O 4.049507 1.094077 2.358136
O -2.210109 2.246926 -0.119826
O -4.127246 2.311300 1.992499
N 1.504999 0.788663 0.826724
N -2.066449 0.487541 2.190781
C 2.119958 1.751984 -0.149972
C 2.385842 3.181274 0.392156
C 1.225790 1.777163 -1.419504
C 3.008062 4.073875 -0.709523
C 1.852173 2.684191 -2.507584
C 2.119253 4.111832 -1.974734
C 0.297500 1.240583 1.575169
C -0.738914 0.092057 1.658021
C 3.536101 -1.287313 0.933861
C 4.874173 -1.154949 0.532161
C 2.740445 -2.398477 0.613307
C 5.434166 -2.191820 -0.246668
C 3.323964 -3.422403 -0.164475
C 4.672642 -3.335646 -0.604193
C -4.062912 0.131624 0.114025
C 5.297497 -4.458847 -1.411462
C -5.097947 -0.528430 0.797435
C -3.719462 -0.137770 -1.218359
C -5.812420 -1.523230 0.098793
C -4.451150 -1.140872 -1.895318
C -5.499932 -1.845684 -1.251028
C -6.291072 -2.912082 -1.986060
H 3.096048 1.307370 -0.440198
H 1.430364 3.636299 0.722544
H 3.056859 3.123178 1.268384
H 1.104347 0.743492 -1.794058
H 0.217153 2.154456 -1.158804
H 4.011978 3.682746 -0.976453
H 3.161346 5.096389 -0.314800
H 1.178939 2.720413 -3.385667
H 2.808298 2.238691 -2.853510
H 2.597265 4.728143 -2.760612
H 1.152292 4.595984 -1.727947
H 0.538016 1.599712 2.596871
H -0.148069 2.079817 1.013205
H -0.878911 -0.346934 0.653638
H -0.359118 -0.702663 2.327385
H -2.028483 1.062013 3.055214
H 5.451332 -0.275310 0.836077
H 1.705078 -2.466286 0.960665
H 6.476583 -2.112328 -0.576116
H 2.725162 -4.300874 -0.431059
H 4.535477 -5.039798 -1.958821
H 5.837079 -5.163739 -0.749726
H 6.028513 -4.074571 -2.144137
H -5.340328 -0.267635 1.832176
H -2.922924 0.432095 -1.707895
H -6.624785 -2.056121 0.606587
H -4.204962 -1.372551 -2.937645
H -7.340800 -2.595344 -2.133646
H -6.315559 -3.858472 -1.415388
H -5.862551 -3.125167 -2.979736


