%chk=000292644.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292644

0 1
S 0.908275 2.484355 0.618118
O -2.814711 -0.019869 0.852128
O -1.712554 -1.727916 -0.112958
N -1.744068 2.379178 1.169872
C 2.301413 -1.986014 0.261608
C 3.691924 -1.424680 -0.064122
C 1.171923 -1.360445 -0.570281
C 3.918794 -0.002323 0.464064
C 0.792886 0.000911 -0.082451
C 3.125845 1.063646 -0.313746
C 1.682700 1.028446 0.009262
C -0.564799 0.357281 0.327956
C -0.663599 1.684379 0.739478
C -1.658898 -0.586926 0.295107
C -4.033640 -0.820158 0.843556
C -4.703528 -0.709062 -0.511306
H 2.082608 -1.853980 1.339815
H 2.303416 -3.080531 0.087278
H 4.459237 -2.095051 0.372294
H 3.860064 -1.451111 -1.158183
H 0.291644 -2.047137 -0.560949
H 1.470630 -1.293497 -1.637945
H 4.997738 0.239321 0.407598
H 3.650242 0.047792 1.537786
H 3.260856 0.906352 -1.408149
H 3.563268 2.062481 -0.106719
H -2.647394 1.913623 1.257621
H -1.679754 3.337822 1.463745
H -3.773436 -1.863831 1.101161
H -4.610550 -0.347752 1.657539
H -5.689817 -1.186308 -0.512954
H -4.831144 0.335902 -0.817374
H -4.097870 -1.200497 -1.288548


%chk=000292644-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292644

0 1
S 0.920615 2.572953 0.640834
O -2.909771 0.073288 0.828053
O -1.728323 -1.750300 -0.024800
N -1.758801 2.408574 1.232685
C 2.353439 -2.027587 0.237007
C 3.771643 -1.456825 -0.014575
C 1.211148 -1.367689 -0.584205
C 4.005958 0.003776 0.439878
C 0.789772 0.008883 -0.086523
C 3.170621 1.058820 -0.337079
C 1.700437 1.040132 0.001152
C -0.569856 0.375268 0.348616
C -0.664032 1.725861 0.769711
C -1.705681 -0.543254 0.340684
C -4.129341 -0.783897 0.819166
C -4.827703 -0.730109 -0.543065
H 2.110176 -1.963014 1.316202
H 2.371862 -3.106447 -0.017840
H 4.508438 -2.105005 0.502036
H 3.998687 -1.533563 -1.099622
H 0.329578 -2.027844 -0.576560
H 1.542475 -1.288090 -1.641525
H 5.079384 0.245018 0.300775
H 3.790605 0.099375 1.522087
H 3.304901 0.882113 -1.426134
H 3.585992 2.064583 -0.136272
H -2.630676 1.872281 1.290603
H -1.703054 3.383108 1.514155
H -3.829765 -1.814975 1.073075
H -4.755593 -0.362991 1.623799
H -5.768076 -1.311447 -0.506233
H -5.074626 0.309214 -0.822021
H -4.182729 -1.165810 -1.323765


