%chk=000244814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244814

0 1
S 2.712154 0.051446 0.351163
O -3.054791 -1.158955 0.464316
O 2.797733 1.332397 -0.323428
O 3.185829 -0.065531 1.702967
O -2.035245 1.628246 0.102838
N 0.084563 0.814990 0.205139
N 0.548581 -1.521532 0.485178
C 0.942869 -0.276385 0.343945
C 3.386348 -1.195411 -0.645455
C -1.329758 0.644798 0.231916
C -1.750770 -0.766814 0.412456
C -0.820408 -1.777060 0.522582
C -4.082562 -0.128128 0.401928
H 0.470373 1.762573 0.051211
H 3.298404 -0.998218 -1.725319
H 4.463005 -1.354776 -0.465293
H 2.929168 -2.189563 -0.483062
H -1.110170 -2.825543 0.651055
H -4.994052 -0.733024 0.477474
H -4.024066 0.409198 -0.550603
H -3.978906 0.562991 1.244590


%chk=000244814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244814

0 1
S 2.781044 0.028975 0.482702
O -3.150266 -1.098237 0.257458
O 2.775709 1.546320 -0.162279
O 3.393405 -0.268814 1.958916
O -1.990709 1.584002 -0.408399
N 0.116917 0.667843 0.065034
N 0.463501 -1.618750 0.659190
C 0.887421 -0.414504 0.391999
C 3.569813 -1.193657 -0.753686
C -1.310234 0.585685 -0.038448
C -1.811882 -0.769602 0.313087
C -0.919186 -1.799986 0.621446
C -4.200494 -0.073123 0.508103
H 0.598352 1.558703 -0.162929
H 3.142305 -0.965221 -1.739162
H 4.648862 -0.991400 -0.705416
H 3.311451 -2.198946 -0.394175
H -1.295240 -2.801004 0.844209
H -5.141256 -0.631234 0.398757
H -4.127292 0.749697 -0.216961
H -4.103923 0.318951 1.536154


