%chk=000179378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179378

0 1
S -1.518567 2.530572 -0.489081
O -4.149219 -1.982772 0.274510
N -3.271051 0.109331 -0.175001
C 0.396037 0.634644 -0.160053
C 1.559152 1.591003 -0.279595
C 0.871418 -0.698878 0.028938
C 2.760602 0.685182 -0.137943
C 2.337598 -0.669716 0.044233
C -0.961747 0.897135 -0.212941
C -0.028115 -1.749307 0.161710
C -1.880326 -0.181953 -0.090177
C 4.105370 1.008741 -0.165448
C 3.270533 -1.684504 0.196932
C -1.402277 -1.490404 0.101285
C 5.046336 -0.027350 -0.009508
C 4.636400 -1.348155 0.168255
C -1.637182 3.205879 1.187424
C -4.331326 -0.815066 0.000199
C -5.691973 -0.201542 -0.181242
H 1.536468 2.376074 0.499953
H 1.552309 2.122503 -1.252859
H 0.326005 -2.769532 0.310022
H 4.437003 2.034015 -0.304456
H 2.959878 -2.716630 0.335300
H -2.109448 -2.322265 0.206263
H 6.108063 0.212492 -0.029387
H 5.379858 -2.134665 0.286662
H -3.515905 1.082521 -0.410401
H -2.025896 4.228890 1.109174
H -0.658490 3.243655 1.677619
H -2.314165 2.619872 1.817430
H -5.893051 0.602487 0.539022
H -6.469696 -0.969665 -0.029032
H -5.839393 0.204007 -1.191607


%chk=000179378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179378

0 1
S -1.612261 2.581662 -0.521674
O -4.274016 -2.031925 0.255061
N -3.283040 0.059585 -0.167319
C 0.401470 0.617484 -0.177851
C 1.564360 1.589806 -0.332866
C 0.896057 -0.705048 0.042648
C 2.784044 0.688568 -0.173049
C 2.369150 -0.660824 0.047829
C -0.978476 0.863562 -0.227189
C -0.007849 -1.775670 0.208448
C -1.898156 -0.227881 -0.076468
C 4.149255 1.017930 -0.216581
C 3.325894 -1.685122 0.224934
C -1.396149 -1.542540 0.147148
C 5.109709 -0.010267 -0.037765
C 4.699022 -1.349219 0.180791
C -1.716558 3.183968 1.276582
C -4.374512 -0.799365 -0.018823
C -5.723606 -0.108416 -0.221254
H 1.538669 2.393883 0.428404
H 1.539735 2.097630 -1.316075
H 0.355844 -2.794649 0.380399
H 4.473724 2.051067 -0.386670
H 3.016343 -2.722591 0.393854
H -2.115137 -2.354645 0.268843
H 6.178202 0.230390 -0.069284
H 5.454846 -2.130973 0.316426
H -3.477350 1.044445 -0.402131
H -2.126107 4.205490 1.239730
H -0.710191 3.194832 1.719998
H -2.381659 2.525626 1.854906
H -5.867157 0.714139 0.503687
H -6.522198 -0.850373 -0.079627
H -5.806698 0.316040 -1.238861


