%chk=000235598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235598

0 1
S -4.440310 -2.030427 0.060424
O -3.808161 2.955135 0.072397
O -4.631189 -2.308816 -1.595368
O 4.362650 0.848400 1.419454
O -3.749922 -3.175467 0.582831
O -5.776722 -1.714666 0.496061
N 2.456859 1.242335 -0.427610
C -1.174345 0.331941 -0.105350
C -1.743168 1.632892 -0.061945
C 1.057871 1.299287 -0.242591
C 0.235957 0.182083 -0.187525
C -2.041195 -0.813570 -0.059797
C -3.400449 -0.649378 0.019879
C -3.171765 1.739806 0.024406
C -0.877674 2.768738 -0.099922
C 0.478853 2.620752 -0.183798
C -3.998492 0.632326 0.066995
C 3.172886 -0.002028 -0.406225
C 4.213191 -0.210567 0.546517
C 2.935157 -0.990308 -1.367136
C 4.974718 -1.378996 0.540141
C 3.694109 -2.167566 -1.367946
C 4.701629 -2.359559 -0.422982
C 5.402773 0.751649 2.423092
H 0.653086 -0.823976 -0.190734
H -1.586251 -1.809414 -0.084625
H -1.325754 3.764603 -0.059736
H 1.133595 3.490239 -0.219587
H -5.082121 0.754860 0.142837
H 2.992329 2.027350 -0.038475
H 2.159846 -0.836161 -2.120536
H 5.764662 -1.542074 1.267007
H -3.169987 3.714338 0.035937
H 3.494013 -2.932582 -2.116754
H 5.287539 -3.278819 -0.429609
H -5.513371 -2.593794 -1.875842
H 6.384934 0.682008 1.946732
H 5.208387 -0.094240 3.089356
H 5.287535 1.705167 2.955328


%chk=000235598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235598

0 1
S -4.868498 -1.968833 -0.324752
O -3.875098 3.107932 -0.057410
O -5.010000 -1.960236 -2.180892
O 4.711780 0.998870 1.336410
O -4.147008 -3.343498 0.131637
O -6.312388 -1.562816 0.283577
N 2.327658 0.898583 0.263965
C -1.387879 0.240732 -0.034243
C -1.890375 1.600741 0.000003
C 0.938976 1.049391 0.158792
C 0.016778 -0.008577 0.048356
C -2.315184 -0.848341 -0.142581
C -3.665648 -0.540461 -0.210355
C -3.312332 1.827154 -0.082259
C -0.933341 2.659489 0.137401
C 0.429385 2.398444 0.208730
C -4.213308 0.761857 -0.188746
C 3.150917 -0.218437 0.011227
C 4.464155 -0.170715 0.586046
C 2.819211 -1.325153 -0.808166
C 5.391444 -1.207496 0.377008
C 3.750699 -2.368965 -1.015672
C 5.028296 -2.319951 -0.421611
C 6.033296 1.150627 1.947619
H 0.352110 -1.047755 0.071968
H -1.970129 -1.886682 -0.156246
H -1.252199 3.709482 0.185590
H 1.140378 3.228481 0.298828
H -5.289795 0.941312 -0.234443
H 2.841721 1.685735 0.671443
H 1.854160 -1.359698 -1.318610
H 6.387958 -1.163514 0.826374
H -3.185459 3.814364 -0.010464
H 3.472167 -3.215185 -1.652138
H 5.745950 -3.131234 -0.579842
H -5.727616 -2.615391 -2.423977
H 6.829172 1.160888 1.178432
H 6.227454 0.341108 2.676592
H 6.004295 2.119247 2.467711


