%chk=000191531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191531

0 1
S -0.064289 -1.212824 0.081670
O -0.170837 -2.513429 0.716248
O 0.096347 -1.144811 -1.359323
O 5.362677 -0.865436 -0.016021
O -3.560194 2.113097 0.299685
O 5.506517 1.151041 -0.985474
O -4.512218 1.300448 -1.558991
N 3.081582 2.022150 0.274685
N -5.297276 -0.937927 0.098205
C 1.258773 -0.328528 0.851163
C -1.503659 -0.279551 0.526244
C 2.516444 -0.387370 -0.010959
C -2.745990 -0.970026 -0.026085
C 3.567845 0.638710 0.466184
C -4.035386 -0.207716 0.358657
C 4.889586 0.393120 -0.277098
C -4.106712 1.088276 -0.445871
H 1.477381 -0.736786 1.860687
H 1.006979 0.738555 1.045323
H -1.594202 -0.165794 1.625695
H -1.458831 0.765965 0.150738
H 2.265935 -0.206514 -1.083052
H 2.965719 -1.406145 0.026640
H -2.810029 -2.009807 0.367788
H -2.677148 -1.070710 -1.133183
H 3.767414 0.486914 1.565243
H -4.013092 0.047942 1.457006
H 2.844406 2.200965 -0.699986
H 3.792634 2.702258 0.539352
H -5.314626 -1.826238 0.590752
H -5.428624 -1.122983 -0.895252
H 6.222150 -1.063026 -0.481195
H -3.605674 2.991780 -0.164276


%chk=000191531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191531

0 1
S -0.036582 -1.062275 -0.273199
O -0.345785 -2.532560 0.388923
O 0.368853 -0.933659 -1.857550
O 5.684038 -0.880724 0.538972
O -3.807053 2.102096 0.442142
O 5.683140 0.822639 -1.045900
O -5.436835 1.231312 -0.965765
N 3.296324 1.939516 0.142376
N -5.308051 -1.191710 0.391536
C 1.380855 -0.215684 0.766685
C -1.627821 0.040377 0.035888
C 2.719195 -0.482311 0.085619
C -2.861515 -0.826618 -0.200992
C 3.759456 0.600561 0.519239
C -4.165256 -0.292739 0.512243
C 5.125559 0.233956 -0.095949
C -4.567823 1.052300 -0.086866
H 1.258375 -0.665088 1.764466
H 1.146380 0.862895 0.751312
H -1.527326 0.367633 1.084939
H -1.490912 0.882936 -0.657071
H 2.579856 -0.431826 -1.014056
H 3.102820 -1.486045 0.332893
H -2.664282 -1.834711 0.218194
H -3.059715 -0.948836 -1.281292
H 3.875606 0.555212 1.618142
H -3.915704 -0.124581 1.577544
H 3.316842 2.090745 -0.873824
H 3.779610 2.698971 0.633072
H -5.137124 -2.164707 0.648368
H -5.873625 -1.056292 -0.450222
H 6.548133 -1.122647 0.107023
H -4.076031 2.957465 0.008308


