%chk=000187725.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187725

0 1
S -0.305217 -1.703388 -0.409332
O -1.174782 2.437087 -3.002756
O 0.632107 -2.277159 0.547624
O -0.826370 -2.611341 -1.421435
N 0.519096 -0.439004 -1.260547
C -0.545795 1.636525 -1.951914
C -0.249262 0.199857 -2.355945
C 0.186838 2.784347 -2.587981
C 1.992356 -0.516846 -1.501418
C -1.576436 -0.858954 0.373557
C 2.708575 0.088364 -0.299820
C 2.468380 -1.935969 -1.821305
C -1.318816 -0.154239 1.571231
C -2.891634 -0.862810 -0.145534
C 3.027810 1.455228 -0.326420
C 3.060561 -0.678077 0.819293
C -2.362040 0.491635 2.250164
C -3.924081 -0.217924 0.545174
C -3.668345 0.454071 1.749492
C 0.051980 -0.054200 2.138980
C -3.225842 -1.521122 -1.439136
C 3.706615 2.041273 0.745300
C 3.742997 -0.090605 1.888066
C -4.784765 1.127919 2.474446
C 4.070351 1.268313 1.852562
H -0.998871 1.763011 -0.961987
H 0.290193 0.163331 -3.330026
H -1.219943 -0.331424 -2.555792
H 0.266925 3.742062 -2.079454
H 0.940784 2.617776 -3.352217
H 2.230495 0.124495 -2.399242
H 3.531300 -1.942249 -2.087746
H 1.911522 -2.376011 -2.657760
H 2.356433 -2.625070 -0.966558
H 2.744450 2.064809 -1.182076
H 2.776027 -1.736736 0.865141
H -2.152364 1.023563 3.175108
H -4.935039 -0.234945 0.144415
H 0.736721 0.498996 1.470218
H 0.087446 0.450545 3.111959
H 0.523221 -1.049969 2.284221
H -4.280483 -1.420734 -1.721994
H -2.996008 -2.607411 -1.425534
H -2.623588 -1.120132 -2.278194
H 3.954523 3.100298 0.716591
H 4.018425 -0.695711 2.750236
H -4.463579 1.611420 3.406656
H -5.252655 1.905746 1.851815
H -5.577277 0.411534 2.739749
H 4.605464 1.723022 2.683327


%chk=000187725-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187725

0 1
S -0.317769 -1.618467 -0.403789
O -0.739262 2.553617 -3.619909
O 0.683718 -2.295434 0.685991
O -0.790369 -2.564706 -1.650534
N 0.529379 -0.023672 -1.084021
C -0.129876 1.957755 -2.373560
C -0.265636 0.444165 -2.262895
C 0.753342 2.606267 -3.397404
C 2.011913 -0.202746 -1.385802
C -1.830170 -0.823276 0.471882
C 2.870451 0.159136 -0.169561
C 2.377166 -1.542468 -2.069334
C -1.546306 -0.021084 1.611487
C -3.144062 -1.097339 -0.002334
C 3.155068 1.528272 0.072690
C 3.396771 -0.810473 0.718784
C -2.662785 0.540873 2.282391
C -4.205195 -0.498515 0.724245
C -3.992050 0.318447 1.858713
C -0.155450 0.261957 2.143811
C -3.506569 -1.972537 -1.190907
C 3.945124 1.925359 1.174125
C 4.190424 -0.418153 1.819519
C -5.165280 0.932593 2.599926
C 4.467912 0.948728 2.053250
H -0.362401 2.508598 -1.452785
H 0.027332 -0.043655 -3.215677
H -1.332342 0.209884 -2.090967
H 1.156370 3.609246 -3.211120
H 1.336224 1.974550 -4.081036
H 2.184644 0.600717 -2.131439
H 3.435195 -1.521274 -2.385330
H 1.747865 -1.714010 -2.960479
H 2.234653 -2.400875 -1.392820
H 2.753414 2.288948 -0.610011
H 3.167980 -1.868656 0.566842
H -2.473096 1.166013 3.162834
H -5.230591 -0.687567 0.384070
H 0.486483 0.713624 1.367208
H -0.209777 0.949600 3.003487
H 0.348953 -0.667503 2.458210
H -4.601696 -1.977243 -1.321671
H -3.160092 -3.010953 -1.057832
H -3.040993 -1.626877 -2.129380
H 4.157235 2.987367 1.342677
H 4.587050 -1.180791 2.499156
H -4.831952 1.526474 3.467393
H -5.750886 1.598125 1.938513
H -5.856379 0.152021 2.968705
H 5.084722 1.249132 2.907887


