%chk=000194919.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194919

0 1
S -5.075084 -1.339739 0.173840
O -0.158120 -0.374850 0.395263
O 2.796898 2.532480 -1.669078
O 3.709995 1.425580 -0.007116
O -1.388358 1.027730 1.659515
N 2.463655 -1.592081 -0.303357
C 2.171976 -0.699081 0.788011
C 1.137458 0.311169 0.807743
C 3.969427 -1.678524 -0.503892
C 1.841511 -1.180158 -1.620662
C 1.946776 -2.990329 0.024400
C 1.239449 1.511573 -0.152231
C 2.604684 1.867158 -0.674989
C -1.332548 0.074062 0.914148
C -2.466401 -0.793598 0.423086
C -3.808760 -0.161276 0.748260
C -6.606350 -0.525427 0.676636
H 2.502461 -1.049288 1.755465
H 3.490038 0.732232 0.725672
H 0.961377 0.682835 1.846925
H 4.241425 -2.357723 -1.321872
H 4.471039 -2.014879 0.417071
H 4.377490 -0.670348 -0.733205
H 2.279383 -0.238532 -1.995897
H 0.752254 -1.007059 -1.490810
H 1.980742 -1.944819 -2.397611
H 2.409067 -3.371430 0.948114
H 2.134690 -3.706340 -0.784618
H 0.858038 -2.937805 0.215930
H 0.815321 2.412414 0.351741
H 0.556839 1.364257 -1.019074
H -2.354065 -0.971262 -0.669699
H -2.368705 -1.799852 0.892645
H -3.930202 0.816779 0.245127
H -3.910921 0.029169 1.835131
H -6.662449 -0.392739 1.762464
H -7.443425 -1.166721 0.367804
H -6.729505 0.450024 0.194018


%chk=000194919-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194919

0 1
S -5.237390 -1.344175 0.070159
O -0.168746 -0.289284 0.156373
O 3.068232 3.329829 -0.478650
O 3.712738 1.124821 -0.914892
O -1.451256 1.098062 1.534426
N 2.519025 -1.606714 -0.268785
C 2.199698 -0.489293 0.779458
C 1.080636 0.516663 0.493301
C 4.029960 -1.841923 -0.205629
C 2.175864 -1.226795 -1.711401
C 1.762602 -2.873649 0.102426
C 1.332067 1.604296 -0.566947
C 2.845516 2.087657 -0.649060
C -1.380559 0.165461 0.706221
C -2.547844 -0.630736 0.143104
C -3.868878 -0.297368 0.851158
C -6.693300 -0.674870 1.056514
H 1.977712 -1.038517 1.711715
H 3.125380 0.099108 0.876940
H 0.881078 1.010941 1.465151
H 4.290334 -2.676613 -0.876524
H 4.310730 -2.087832 0.831075
H 4.500837 -0.897055 -0.527407
H 2.727613 -0.285036 -1.907100
H 1.087618 -1.097766 -1.789575
H 2.518155 -2.050203 -2.360403
H 2.090670 -3.216316 1.096830
H 1.975166 -3.651036 -0.648646
H 0.688440 -2.637699 0.117804
H 0.696802 2.476528 -0.342038
H 1.053518 1.225867 -1.566873
H -2.624240 -0.410002 -0.939693
H -2.318321 -1.710575 0.220963
H -4.119882 0.768959 0.729640
H -3.811790 -0.527783 1.928142
H -6.553074 -0.873792 2.131019
H -7.588189 -1.205731 0.696776
H -6.809823 0.406172 0.879326


