%chk=000210288.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210288

0 1
S -7.194379 -0.201981 0.207437
S -8.425199 0.814708 -0.788344
O -5.709433 0.205211 -0.351783
O -7.238405 -1.784835 -0.290930
O -7.140610 -0.309145 1.631109
N -2.129441 -0.000898 0.330442
C 4.100532 -0.579716 -0.741020
C 5.304884 -1.307887 -0.082920
C 4.522028 0.860988 -1.100812
C 5.039581 1.642265 0.123903
C 5.805431 -0.545253 1.159124
C 6.206509 0.889437 0.794401
C 2.835469 -0.597754 0.140061
C 4.983116 -2.765790 0.260146
C 1.573693 -0.231584 -0.652645
C 5.471253 3.056606 -0.281014
C 0.328682 -0.252022 0.242846
C -0.930585 0.118100 -0.556987
C -3.378297 0.468904 -0.334993
C -4.521963 -0.364351 0.265073
H 3.866083 -1.117590 -1.692939
H 6.133217 -1.311963 -0.837503
H 5.304075 0.829913 -1.882002
H 3.667358 1.398798 -1.550840
H 4.204253 1.725101 0.863914
H 5.023466 -0.535824 1.940664
H 6.669087 -1.074101 1.602709
H 7.083004 0.875139 0.119643
H 6.531925 1.431125 1.701161
H 2.963669 0.097799 0.992319
H 2.711194 -1.602165 0.591236
H 5.862165 -3.283453 0.658460
H 4.648953 -3.319014 -0.624127
H 4.189024 -2.842515 1.012410
H 1.696580 0.770151 -1.109685
H 1.443257 -0.936265 -1.496835
H 5.818540 3.630355 0.584754
H 4.642622 3.613247 -0.731028
H 6.288107 3.040042 -1.010492
H 0.199015 -1.257250 0.693665
H 0.463520 0.442483 1.093928
H -0.818117 1.129948 -1.002645
H -1.064572 -0.593686 -1.402678
H -1.979521 0.530999 1.195092
H -3.341816 0.300523 -1.434291
H -3.587052 1.551938 -0.199410
H -4.457326 -1.427553 -0.027644
H -4.592937 -0.262899 1.363277
H -7.208637 -2.474285 0.398693


%chk=000210288-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210288

0 1
S -6.741816 -0.192148 -1.279412
S -8.382378 1.097277 -1.685323
O -5.486817 0.694587 -0.116111
O -5.548102 -0.296595 -2.738872
O -6.958669 -1.735680 -0.831134
N -2.155249 0.293774 1.471894
C 3.896747 -0.985104 -0.276718
C 5.250094 -1.345355 0.420916
C 4.160103 0.113650 -1.345948
C 4.819772 1.392809 -0.767159
C 5.922528 -0.084546 1.025779
C 6.135238 1.019533 -0.036113
C 2.768103 -0.608244 0.725015
C 5.130239 -2.480090 1.461954
C 1.387819 -0.374875 0.067521
C 5.067249 2.442715 -1.871339
C 0.266539 -0.161698 1.110240
C -1.108183 0.087831 0.456153
C -3.420140 0.899808 1.092180
C -4.290236 -0.062666 0.180955
H 3.551984 -1.897965 -0.812225
H 5.920573 -1.707680 -0.390661
H 4.840137 -0.303121 -2.119638
H 3.221507 0.378948 -1.870551
H 4.128722 1.837041 -0.018629
H 5.297447 0.307794 1.853947
H 6.895261 -0.366798 1.476060
H 6.868089 0.662937 -0.791516
H 6.575522 1.922568 0.432143
H 3.046735 0.293745 1.305414
H 2.660762 -1.428011 1.463442
H 6.132187 -2.826544 1.777616
H 4.585974 -3.351312 1.049602
H 4.597234 -2.147148 2.372278
H 1.427462 0.508322 -0.600601
H 1.137025 -1.244304 -0.576208
H 5.529699 3.359248 -1.458810
H 4.124294 2.733718 -2.371689
H 5.749206 2.041322 -2.646200
H 0.206642 -1.053880 1.769395
H 0.511472 0.699140 1.761815
H -1.065210 1.000649 -0.169930
H -1.338825 -0.760357 -0.232688
H -2.210733 -0.444269 2.182034
H -3.234545 1.828902 0.527021
H -4.007566 1.149752 1.991247
H -3.729165 -0.300373 -0.742879
H -4.522721 -0.990355 0.741638
H -5.750006 -1.172952 -3.183002


