%chk=000273147.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273147

0 1
S -3.023952 -1.797829 -2.011901
O -2.290346 -2.304450 0.434576
O -5.129754 2.974482 -0.579856
O 4.254007 -1.738588 0.172465
O 3.454525 3.002830 0.224889
O 5.257607 0.986889 0.130207
O 1.709573 -2.886309 1.583656
O 1.227062 -2.840054 -0.517929
N 1.655473 -2.328913 0.506158
C -2.355086 -1.152504 -0.407275
C -0.963255 -0.563957 -0.639015
C -0.312867 -0.189864 0.701998
C -3.355391 -0.191865 0.183737
C -2.721869 -3.546683 -1.598415
C -1.942108 -3.509879 -0.291721
C 1.146771 0.114686 0.528046
C -3.733933 0.940979 -0.556886
C -3.884677 -0.419672 1.456762
C 2.095619 -0.922151 0.427183
C 1.572287 1.444923 0.466946
C -4.657827 1.821970 0.012278
C -4.803471 0.486330 2.007515
C 3.474726 -0.629943 0.253439
C 2.933092 1.743680 0.308839
C -5.198744 1.614916 1.299525
C 3.900499 0.712306 0.190999
C -4.746022 3.237140 -1.950661
C 5.699586 -1.590444 0.074519
C 2.547702 4.129945 0.364104
C 5.660545 1.714930 -1.064758
H -1.016942 0.321019 -1.302191
H -0.324299 -1.301998 -1.179195
H -0.467879 -1.019404 1.433379
H -0.851817 0.671033 1.153192
H -2.156748 -4.030966 -2.414643
H -3.691175 -4.068507 -1.500899
H -2.230755 -4.300126 0.425213
H -0.842722 -3.519064 -0.446050
H -3.331036 1.111090 -1.549653
H -3.589987 -1.311657 2.012744
H 0.836516 2.240144 0.548493
H -5.212530 0.299053 3.000876
H -5.911765 2.328971 1.703156
H -5.303241 4.157862 -2.167145
H -5.072649 2.420384 -2.601853
H -3.667968 3.405073 -2.016838
H 5.957324 -1.164186 -0.898353
H 6.025135 -2.633989 0.170169
H 6.074399 -0.964805 0.893736
H 3.241551 4.977870 0.285829
H 2.065595 4.109431 1.346289
H 1.820505 4.135154 -0.452387
H 5.379817 1.162980 -1.963426
H 5.214066 2.716289 -1.052660
H 6.747234 1.766949 -0.939807


%chk=000273147-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273147

0 1
S -3.218050 -1.824886 -2.166045
O -2.540514 -2.476435 0.407121
O -4.596218 3.279613 -0.514318
O 4.621850 -1.467320 -0.220304
O 3.069332 3.106553 0.058304
O 5.171043 1.275935 -0.223429
O 2.924105 -3.068595 1.334241
O 1.169185 -3.071478 -0.116597
N 2.124529 -2.468402 0.519426
C -2.471396 -1.279032 -0.412644
C -1.005731 -0.839888 -0.658345
C -0.243130 -0.597897 0.675734
C -3.331627 -0.195060 0.221123
C -3.148656 -3.642149 -1.636214
C -2.230699 -3.672800 -0.396527
C 1.185522 -0.141951 0.432813
C -3.540249 1.020932 -0.481825
C -3.889126 -0.368148 1.507607
C 2.295526 -1.018980 0.321499
C 1.447844 1.245800 0.342539
C -4.313461 2.048544 0.104382
C -4.651790 0.675241 2.087450
C 3.616277 -0.545046 0.065079
C 2.751348 1.747625 0.127860
C -4.868126 1.882609 1.399145
C 3.850094 0.848603 -0.036716
C -4.120660 3.471575 -1.885284
C 5.736248 -1.561767 0.754908
C 1.989358 4.076269 0.285535
C 5.444600 2.081431 -1.436976
H -1.011990 0.083507 -1.267119
H -0.478529 -1.610216 -1.243148
H -0.281550 -1.532413 1.261449
H -0.772336 0.177015 1.260420
H -2.731790 -4.237688 -2.464218
H -4.170775 -3.973379 -1.397613
H -2.445143 -4.530699 0.260845
H -1.162170 -3.683063 -0.679566
H -3.130298 1.137249 -1.490643
H -3.729457 -1.311501 2.034317
H 0.606154 1.932791 0.471563
H -5.083614 0.540642 3.085430
H -5.462454 2.695390 1.827302
H -4.476834 4.470610 -2.176825
H -4.543012 2.709719 -2.568977
H -3.014028 3.441050 -1.939515
H 6.212085 -0.575789 0.889008
H 6.443311 -2.275951 0.308011
H 5.347880 -1.959047 1.709376
H 2.473626 5.060944 0.218814
H 1.544359 3.943963 1.289285
H 1.203852 3.990262 -0.488986
H 5.177015 1.507150 -2.343333
H 4.889787 3.033622 -1.402734
H 6.528887 2.266438 -1.415285


