%chk=000187637.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187637

0 1
S -0.634400 1.273287 0.323238
O 0.303676 -2.945862 -2.159030
O -0.487068 2.127410 -0.842176
O 0.073987 1.608219 1.543043
N -0.219200 -0.345384 -0.136981
C -0.818573 -2.087565 -1.763719
C 1.058582 -0.973111 0.341713
C -0.475043 -0.619976 -1.582443
C 1.090499 -1.120505 1.891958
C -0.763259 -2.708221 -3.131518
C 2.275735 -0.250425 -0.217062
C 2.431931 -1.728745 2.321278
C -0.056776 -2.014892 2.376921
C -2.334528 1.137713 0.650446
C 2.925671 -0.808386 -1.329890
C 2.759245 0.941859 0.337607
C -3.215852 2.026894 0.025277
C -2.822147 0.181307 1.542735
C 4.046653 -0.180524 -1.878149
C 3.880235 1.568329 -0.214126
C 4.526445 1.009325 -1.321033
C -4.585323 1.959645 0.296413
C -4.191675 0.110812 1.816214
C -5.071885 1.002529 1.194163
H -1.444914 -2.529532 -0.980765
H 1.059963 -2.027126 -0.073298
H -1.326206 0.000209 -1.950772
H 0.403762 -0.344654 -2.218748
H 0.990618 -0.109223 2.369456
H -1.357179 -3.588397 -3.366984
H -0.454446 -2.130643 -3.999820
H 2.468540 -1.867867 3.407189
H 2.608475 -2.705193 1.857775
H 3.275816 -1.081786 2.050613
H -1.038139 -1.587469 2.120366
H -0.023517 -2.136626 3.465142
H -0.009314 -3.014589 1.931543
H 2.551761 -1.736226 -1.769745
H 2.257439 1.390802 1.203040
H -2.833314 2.776001 -0.679416
H -2.131090 -0.528070 2.028234
H 4.545938 -0.618273 -2.740154
H 4.246266 2.497686 0.219242
H 5.397985 1.499680 -1.749027
H -5.270927 2.653422 -0.187855
H -4.570541 -0.633477 2.514557
H -6.139908 0.952216 1.409353


%chk=000187637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187637

0 1
S -0.621488 1.328236 0.525734
O 0.289310 -2.979140 -2.082477
O -0.385967 2.387059 -0.699826
O 0.020484 1.607529 1.999001
N -0.242729 -0.504705 0.008764
C -0.867517 -2.035370 -1.809170
C 1.133686 -1.030526 0.399993
C -0.514234 -0.600178 -1.461313
C 1.250031 -1.295091 1.932657
C -0.643132 -2.560302 -3.194294
C 2.309552 -0.261158 -0.217274
C 2.592760 -2.005650 2.233568
C 0.072513 -2.160751 2.437898
C -2.499658 1.178667 0.732833
C 2.966214 -0.797161 -1.355858
C 2.766669 0.972822 0.317418
C -3.306266 1.743749 -0.267367
C -3.002856 0.571232 1.894830
C 4.054635 -0.118981 -1.950654
C 3.851521 1.651032 -0.278848
C 4.501001 1.109362 -1.413106
C -4.709461 1.670649 -0.099408
C -4.407195 0.509176 2.045330
C -5.255179 1.050860 1.048912
H -1.650532 -2.488871 -1.188175
H 1.116102 -2.033242 -0.079742
H -1.388174 0.034317 -1.702824
H 0.335582 -0.247579 -2.079258
H 1.231658 -0.328294 2.466556
H -1.286777 -3.359177 -3.580779
H -0.188287 -1.903835 -3.947041
H 2.668389 -2.228905 3.313603
H 2.663248 -2.965342 1.684534
H 3.460965 -1.386394 1.949802
H -0.901439 -1.703717 2.195635
H 0.138608 -2.293919 3.533543
H 0.097018 -3.166120 1.972512
H 2.620630 -1.752458 -1.771072
H 2.268640 1.408083 1.191146
H -2.846329 2.248583 -1.123884
H -2.326119 0.185084 2.663283
H 4.552689 -0.549220 -2.827169
H 4.188358 2.605314 0.141547
H 5.343993 1.639274 -1.871156
H -5.369285 2.104120 -0.858163
H -4.835456 0.044955 2.939751
H -6.342178 1.000579 1.174813


