%chk=000190355.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190355

0 1
S 3.028886 -0.920437 -1.422136
S -2.319538 -0.319262 -2.085667
S 4.865963 1.847420 -0.625818
S -4.564753 2.124184 -1.192421
P 3.450444 0.669688 -0.134286
P -3.149386 0.957174 -0.673019
O 3.598652 -0.224189 1.247305
O 1.977443 1.366268 0.171835
O -1.744229 1.653104 -0.135185
O -3.494759 -0.117036 0.549672
C -0.135652 -2.586918 0.485152
C 1.375221 -1.321229 -0.910866
C -0.978011 -1.057174 -1.184076
C -1.222904 -1.979884 -0.169184
C 1.176805 -2.248147 0.110181
C 0.314220 -0.710145 -1.580905
C -0.377031 -3.587938 1.565051
C 3.998087 0.504255 2.435554
C 1.555218 2.426118 -0.718653
C -1.874874 2.554892 0.990435
C -4.746194 0.056173 1.252710
H -2.246526 -2.218835 0.133724
H 2.029235 -2.696149 0.626554
H 0.486916 0.019745 -2.374391
H 0.475416 -3.680018 2.252514
H -0.557803 -4.587072 1.139106
H -1.253514 -3.333437 2.177810
H 3.226501 1.225600 2.729615
H 4.979277 0.980356 2.307322
H 4.067865 -0.301160 3.181893
H 1.778238 2.229629 -1.772540
H 1.997573 3.374955 -0.389728
H 0.459431 2.424679 -0.566730
H -2.285974 2.041775 1.867412
H -0.825709 2.829707 1.185823
H -2.455648 3.446055 0.719208
H -5.605536 -0.067165 0.579734
H -4.713441 -0.771754 1.976881
H -4.786510 1.017275 1.777417


%chk=000190355-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190355

0 1
S 2.911024 -0.841206 -1.454377
S -2.658804 -0.515189 -2.019024
S 5.119086 1.916365 -0.341546
S -4.576193 2.541656 -1.152597
P 3.343311 0.914951 -0.012839
P -3.145806 1.193065 -0.526716
O 3.088330 0.158497 1.526172
O 1.886532 1.878545 -0.033424
O -1.536913 1.708845 -0.183803
O -3.484979 0.378804 0.987469
C -0.212374 -2.811899 0.437171
C 1.223887 -1.351297 -0.922166
C -1.187788 -1.233311 -1.178132
C -1.345109 -2.238013 -0.197124
C 1.075887 -2.351089 0.067839
C 0.097366 -0.780184 -1.552354
C -0.379550 -3.903486 1.479110
C 3.678490 0.804641 2.723756
C 1.675970 2.756267 -1.211544
C -1.166742 2.227073 1.162677
C -4.885251 0.007901 1.276344
H -2.352483 -2.566639 0.080103
H 1.968289 -2.759170 0.553251
H 0.208736 0.005478 -2.303271
H 0.494364 -3.957010 2.150434
H -0.491121 -4.895183 0.999994
H -1.278034 -3.734819 2.098278
H 3.152799 1.747907 2.954665
H 4.756230 0.996556 2.572935
H 3.526730 0.072793 3.530718
H 1.847538 2.202535 -2.153364
H 2.350455 3.628460 -1.160683
H 0.620187 3.057918 -1.148442
H -1.538817 1.552104 1.949569
H -0.065894 2.228228 1.137610
H -1.570855 3.246382 1.298561
H -5.216677 -0.806661 0.606354
H -4.873991 -0.339057 2.320552
H -5.554429 0.880347 1.165145


