%chk=000214057.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214057

0 1
S -2.315228 1.575825 1.950578
O -1.172215 -0.066580 -2.014308
O 3.119887 0.109048 0.248091
N -4.170613 -3.334984 0.735962
C -1.644269 0.087741 -0.655885
C -2.229504 -1.251727 -0.157580
C -0.465598 0.480516 0.236185
C -2.692632 1.183855 -0.741542
C -3.366547 -1.759787 -1.047609
C -0.689739 1.135761 1.459109
C -3.081110 1.894506 0.399613
C -3.772929 -3.203147 -0.705771
C 0.838439 0.164199 -0.132897
C -3.313575 1.480553 -1.963999
C 0.359335 1.458648 2.317866
C 1.895775 0.488709 0.744335
C -4.086436 2.862010 0.352771
C -4.319135 2.448508 -2.024475
C 1.673326 1.123945 1.973090
C -4.712511 3.131626 -0.867689
C -4.329247 -4.778707 1.090197
C -5.435481 -2.596192 1.024317
C 4.303800 0.387088 1.061369
C 5.463355 -0.089952 0.231052
C 6.608668 -0.588197 0.869674
C 5.414640 -0.016751 -1.167781
C 7.702735 -1.003344 0.105966
C 6.509801 -0.440741 -1.925351
C 7.655212 -0.931007 -1.290409
H -2.600687 -1.146068 0.887143
H -1.426551 -2.010312 -0.085659
H -4.240409 -1.083104 -0.954529
H -3.065086 -1.711852 -2.113552
H -2.904156 -3.877297 -0.876118
H -4.571145 -3.532089 -1.406176
H 1.066369 -0.306668 -1.087541
H -2.994236 0.951202 -2.865788
H -0.693807 -0.913951 -2.118577
H 0.167658 1.974643 3.261250
H -4.376671 3.408343 1.250071
H 2.485516 1.367641 2.648170
H -4.796627 2.673488 -2.976623
H -5.499934 3.881639 -0.919099
H -4.575547 -4.857122 2.161483
H -3.365548 -5.292204 0.946074
H -5.100260 -5.316307 0.520162
H -6.310533 -2.930224 0.449418
H -5.667360 -2.688624 2.097227
H -5.276260 -1.523069 0.823921
H 4.358215 1.477459 1.242846
H 4.202915 -0.161779 2.014913
H 6.650813 -0.654422 1.954781
H 4.514156 0.361408 -1.655573
H 8.593687 -1.387120 0.600417
H 6.469490 -0.387352 -3.012299
H 8.508594 -1.257579 -1.881718


%chk=000214057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214057

0 1
S -2.416254 1.152756 2.003755
O -1.167456 -0.264442 -2.181715
O 3.216750 0.000605 0.110297
N -4.459748 -3.193931 0.824874
C -1.639720 -0.084139 -0.795193
C -2.294359 -1.419404 -0.303823
C -0.464446 0.263017 0.140735
C -2.662031 1.060751 -0.826296
C -3.525783 -1.864311 -1.117775
C -0.707656 0.765898 1.446808
C -3.117764 1.653391 0.378359
C -4.100254 -3.206108 -0.613896
C 0.867608 0.047017 -0.259783
C -3.211617 1.515813 -2.049218
C 0.358965 1.001866 2.336360
C 1.941280 0.274315 0.633145
C -4.123825 2.646708 0.370315
C -4.215418 2.508101 -2.068545
C 1.691319 0.741164 1.946710
C -4.682654 3.066794 -0.856079
C -4.723555 -4.551894 1.339726
C -5.558616 -2.261020 1.145512
C 4.376578 0.265567 0.976852
C 5.642486 -0.013007 0.190177
C 6.801739 -0.464478 0.867721
C 5.701257 0.215279 -1.206618
C 8.009339 -0.671485 0.163508
C 6.905993 -0.000351 -1.912083
C 8.064932 -0.439432 -1.230061
H -2.579074 -1.331709 0.759165
H -1.509371 -2.205755 -0.342880
H -4.301485 -1.077514 -1.083475
H -3.261051 -1.983139 -2.187088
H -3.339450 -3.999970 -0.754849
H -4.980528 -3.483207 -1.253887
H 1.094560 -0.279345 -1.278043
H -2.837670 1.070898 -2.974451
H -0.780848 -1.172950 -2.257127
H 0.157055 1.405739 3.333966
H -4.449053 3.100135 1.312707
H 2.502576 0.924428 2.656341
H -4.631921 2.843095 -3.024756
H -5.461264 3.837543 -0.862710
H -4.901300 -4.508215 2.429471
H -3.843167 -5.195777 1.162920
H -5.612307 -5.044577 0.866620
H -6.512069 -2.505022 0.609266
H -5.758022 -2.290031 2.231532
H -5.275747 -1.226498 0.886903
H 4.343636 1.328424 1.301799
H 4.329461 -0.374816 1.881661
H 6.763234 -0.658550 1.947262
H 4.798354 0.543242 -1.730596
H 8.899565 -1.020800 0.698459
H 6.940805 0.173934 -2.993469
H 8.998791 -0.604498 -1.779008


