%chk=000211639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211639

0 1
S -0.659994 -2.101775 0.896326
S 1.869211 -2.882947 -0.387435
O 0.586332 0.623838 2.523614
O -4.357417 -0.355201 -0.888147
O -4.845022 1.482339 0.340034
N 1.231615 -0.380554 0.486734
C 2.559276 0.280664 0.209365
C 0.159641 0.438442 1.174327
C 3.699413 -0.378880 1.006868
C 2.858236 0.295386 -1.300224
C -1.165795 -0.369908 1.166892
C 5.006039 0.384709 0.748600
C 4.168025 1.054532 -1.553680
C 5.327656 0.446207 -0.751577
C 0.970753 -1.697749 0.278275
C -2.154285 0.031408 0.084837
C 0.055215 1.852999 0.626004
C -3.416854 -0.831531 0.118013
C -5.040434 0.819577 -0.651446
C -5.975045 1.065413 -1.782421
H 2.459455 1.344047 0.570336
H 3.828342 -1.440867 0.711901
H 3.462895 -0.386724 2.085921
H 2.026041 0.757339 -1.859524
H 2.947674 -0.740613 -1.689965
H -1.641127 -0.283463 2.176779
H 5.835070 -0.109616 1.290300
H 4.938981 1.408148 1.164198
H 4.047700 2.122949 -1.292530
H 4.406002 1.029671 -2.634307
H 6.249855 1.033227 -0.916434
H 5.541366 -0.574679 -1.126290
H -1.694574 -0.022121 -0.924641
H -2.456601 1.096707 0.224576
H -0.087184 1.871470 -0.460954
H -0.778568 2.393912 1.099067
H 0.963994 2.434011 0.859128
H 0.769399 -0.221822 2.989026
H -3.251087 -1.870261 -0.229880
H -3.916322 -0.818526 1.102251
H -7.019841 1.062936 -1.431454
H -5.887984 0.304129 -2.575196
H -5.789954 2.050975 -2.237967


%chk=000211639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211639

0 1
S -0.669965 -2.220409 1.389880
S 1.833577 -2.984652 -0.226681
O 0.719717 0.225716 2.952184
O -4.092952 -0.344588 -1.064643
O -4.839603 1.576967 0.028956
N 1.150283 -0.415752 0.634965
C 2.415668 0.251604 0.164549
C 0.223495 0.328811 1.570348
C 3.678849 -0.256274 0.907108
C 2.577277 0.201043 -1.375321
C -1.158091 -0.376825 1.440683
C 4.917241 0.559001 0.459734
C 3.825942 1.012990 -1.801344
C 5.099240 0.514526 -1.076211
C 0.918720 -1.769289 0.517590
C -1.980750 0.007941 0.199171
C 0.140202 1.836718 1.313322
C -3.330439 -0.726160 0.158332
C -4.823422 0.849235 -0.991244
C -5.571541 1.104699 -2.280518
H 2.294063 1.315403 0.437462
H 3.836785 -1.325643 0.679926
H 3.522527 -0.159586 1.997807
H 1.667454 0.609218 -1.857416
H 2.683002 -0.848699 -1.701351
H -1.721906 -0.201414 2.373178
H 5.818923 0.164214 0.965587
H 4.807477 1.615665 0.783639
H 3.671044 2.087747 -1.566827
H 3.954456 0.941504 -2.898233
H 5.971667 1.127065 -1.375098
H 5.312310 -0.527723 -1.388715
H -1.409279 -0.219675 -0.719443
H -2.184540 1.094432 0.224126
H 0.021948 2.067116 0.242258
H -0.725324 2.243412 1.862443
H 1.039117 2.338982 1.704493
H 0.684043 -0.733254 3.221279
H -3.199346 -1.815248 0.062524
H -3.939570 -0.482006 1.048628
H -6.656976 1.104180 -2.077616
H -5.338779 0.340641 -3.035594
H -5.312446 2.106162 -2.664617


