%chk=000272515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272515

0 1
S -0.560596 1.947215 -0.662840
O -0.482624 2.735205 -1.884082
O -0.255765 2.619746 0.584983
N 2.570435 1.291497 -0.279680
N 0.378176 0.552807 -0.886481
N -1.658987 0.018713 1.383468
C 2.129765 -1.103933 -1.104544
C 1.371340 -2.219325 -0.326649
C 1.904092 -1.428959 -2.594976
C 1.442208 -3.461621 -1.245526
C 1.721755 -2.956120 -2.673895
C 1.631653 0.286666 -0.720693
C 1.974989 -2.467421 1.053012
C 3.995901 1.165737 -0.699309
C 2.454646 1.725796 1.145891
C 4.846491 0.275658 0.225234
C 3.229833 0.803108 2.098966
C 4.704992 0.702066 1.691775
C -2.183672 1.294780 -0.616469
C -2.587319 0.400148 0.416958
C -3.079643 1.664703 -1.589403
C -3.928347 -0.087670 0.443148
C -4.419385 1.176951 -1.572815
C -4.835522 0.324234 -0.580278
C -4.303876 -0.972867 1.501157
C -2.048635 -0.805742 2.350379
C -3.379563 -1.330505 2.449467
H 3.220238 -1.205676 -0.871224
H 0.300772 -1.917365 -0.209376
H 2.742567 -1.080171 -3.216353
H 0.998031 -0.914885 -2.972559
H 0.500057 -4.030926 -1.199187
H 2.235802 -4.154470 -0.919186
H 0.892719 -3.213125 -3.354612
H 2.622886 -3.438842 -3.087778
H 2.982432 -2.893090 0.995086
H 2.051213 -1.526137 1.627368
H 1.358978 -3.160070 1.635557
H 4.406447 2.203012 -0.709459
H 4.041997 0.804859 -1.748208
H 1.378666 1.792309 1.448040
H 2.839956 2.768708 1.202054
H 5.906039 0.318171 -0.085290
H 4.530960 -0.784404 0.108350
H 2.763013 -0.209383 2.099909
H 3.141414 1.181487 3.133828
H 5.232178 -0.015949 2.346872
H 5.201820 1.679965 1.846710
H -2.776218 2.346651 -2.398272
H -5.100778 1.496183 -2.360867
H -5.859192 -0.051793 -0.556108
H -5.326402 -1.350098 1.536294
H -1.295351 -1.084047 3.099526
H -3.628189 -1.997479 3.270786


%chk=000272515-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272515

0 1
S -0.338446 1.616789 0.502604
O 0.140345 2.749858 -0.593646
O -0.334456 2.075990 2.069016
N 2.803057 0.735548 0.065479
N 0.453690 -0.035400 0.105823
N -2.294816 -0.495065 1.774223
C 2.074509 -1.459280 -0.902531
C 1.254080 -2.671289 -0.357985
C 1.766379 -1.448070 -2.437249
C 1.461909 -3.720954 -1.476603
C 1.338646 -2.912316 -2.798475
C 1.758498 -0.126729 -0.199978
C 1.675310 -3.128661 1.048617
C 4.020730 0.787419 -0.790107
C 2.733346 1.847001 1.056044
C 5.318131 0.790930 0.044618
C 4.017055 1.879248 1.917446
C 5.298033 1.956271 1.059284
C -2.096923 1.135175 -0.033087
C -2.851281 0.161773 0.689471
C -2.595576 1.824348 -1.129788
C -4.205735 -0.092721 0.226716
C -3.930001 1.559404 -1.572093
C -4.717917 0.619776 -0.905623
C -4.973367 -1.066918 0.945275
C -3.059219 -1.398921 2.414015
C -4.404956 -1.719826 2.039390
H 3.143590 -1.697630 -0.730235
H 0.191217 -2.364468 -0.331581
H 2.640139 -1.113301 -3.026551
H 0.944988 -0.737821 -2.639166
H 0.733273 -4.549298 -1.412488
H 2.474578 -4.164148 -1.384008
H 0.292754 -2.921229 -3.155424
H 1.960912 -3.339087 -3.605312
H 2.750059 -3.397254 1.077994
H 1.491984 -2.333132 1.793129
H 1.098240 -4.018379 1.362296
H 3.967986 1.725386 -1.384051
H 4.012998 -0.047433 -1.505349
H 1.865400 1.701100 1.719215
H 2.584036 2.807613 0.524168
H 6.184470 0.876499 -0.639230
H 5.411241 -0.173245 0.582342
H 4.048346 0.969887 2.549290
H 3.948262 2.748431 2.598134
H 6.198067 1.929878 1.701426
H 5.319111 2.920480 0.510649
H -1.955237 2.560830 -1.628518
H -4.325690 2.103650 -2.435487
H -5.742449 0.417458 -1.240722
H -5.999067 -1.285497 0.625933
H -2.592500 -1.901543 3.269640
H -4.963336 -2.466822 2.611751


