%chk=000286221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286221

0 1
S 2.487116 1.600306 1.081063
O 0.212397 0.583568 -0.579062
O 3.177734 1.611576 2.357670
O 2.177343 2.842640 0.429767
N -1.262310 0.109313 1.156360
N 0.981255 0.833761 1.555110
C -2.322172 -0.432431 0.333360
C -2.992645 0.381087 -0.606305
C -2.704057 -1.780170 0.533622
C -2.620638 1.816772 -0.857460
C -1.991117 -2.670892 1.517331
C -4.058665 -0.176949 -1.331158
C -3.778324 -2.297361 -0.200187
C -4.450169 -1.499742 -1.129307
C -3.116304 2.733212 0.259348
C -2.562889 -2.520857 2.926561
C -0.026658 0.501221 0.617429
C 3.250074 0.496863 0.014018
C 2.871231 0.425985 -1.330775
C 4.281869 -0.321217 0.497192
C 3.522942 -0.463667 -2.193199
C 4.930912 -1.207602 -0.362189
C 4.549308 -1.277981 -1.709383
H -1.515693 1.911255 -0.974673
H -3.031174 2.158492 -1.830126
H -2.072705 -3.731359 1.195511
H -0.901153 -2.464552 1.516042
H -4.588858 0.436729 -2.058788
H -4.089709 -3.329383 -0.048870
H -1.361452 -0.066069 2.155872
H -5.281712 -1.913357 -1.698383
H -4.205741 2.684634 0.366048
H -2.845207 3.776340 0.058120
H -2.676723 2.461871 1.226288
H -2.484725 -1.493811 3.298187
H -2.043239 -3.173982 3.637001
H -3.627673 -2.788277 2.951996
H 0.786365 0.756034 2.561036
H 2.053672 1.056506 -1.711204
H 4.583262 -0.259347 1.549843
H 3.222541 -0.519782 -3.238895
H 5.732962 -1.842010 0.011120
H 5.057228 -1.971968 -2.380731


%chk=000286221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286221

0 1
S 2.444057 1.681891 0.915034
O 0.135829 0.504361 -0.770038
O 3.162937 1.840904 2.366205
O 2.084848 2.979374 0.023106
N -1.293463 0.047660 1.050004
N 0.905347 0.779960 1.419919
C -2.429232 -0.441615 0.298495
C -3.139944 0.426751 -0.580031
C -2.823982 -1.797974 0.492963
C -2.782030 1.896344 -0.750428
C -2.066549 -2.718123 1.441655
C -4.251794 -0.107366 -1.278485
C -3.955133 -2.280619 -0.208502
C -4.664356 -1.444258 -1.095551
C -3.212463 2.764694 0.462776
C -2.536130 -2.593262 2.917722
C -0.088846 0.451838 0.472479
C 3.406529 0.423127 -0.112646
C 3.130757 0.318501 -1.484280
C 4.401102 -0.300536 0.564032
C 3.916175 -0.594948 -2.225447
C 5.170650 -1.207843 -0.200428
C 4.926389 -1.352920 -1.586692
H -1.698533 2.011112 -0.925079
H -3.287350 2.278865 -1.657039
H -2.209331 -3.765547 1.118168
H -0.980609 -2.513929 1.381470
H -4.802764 0.544968 -1.966376
H -4.264093 -3.323530 -0.068838
H -1.318533 -0.091688 2.062230
H -5.529083 -1.832132 -1.645293
H -4.304894 2.712529 0.622528
H -2.937297 3.822118 0.297133
H -2.715147 2.427161 1.389593
H -2.405171 -1.566715 3.312430
H -1.968064 -3.279325 3.572032
H -3.609453 -2.838005 3.008157
H 0.731845 0.913677 2.424131
H 2.330601 0.905793 -1.941470
H 4.574260 -0.143955 1.633489
H 3.732190 -0.713766 -3.297881
H 5.958758 -1.791740 0.285900
H 5.528473 -2.056433 -2.171945


