%chk=000230698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230698

0 1
S -0.704861 0.327579 -2.004724
O -1.853702 -1.862729 -0.756680
O 4.670402 -0.214490 1.910883
O 5.590211 -0.381236 -0.038317
N 4.619256 -0.242792 0.690178
C -1.948377 0.448067 -0.787274
C -3.539306 1.722524 0.516085
C -2.489842 -0.748179 -0.277977
C -2.469051 1.677778 -0.391329
C -4.073944 0.520284 1.014324
C 0.810771 0.161397 -1.138137
C -3.560235 -0.718186 0.629232
C -4.114872 3.035533 0.934356
C 0.908988 0.195057 0.257273
C 1.948278 -0.001960 -1.945566
C 3.298411 -0.101305 0.055543
C 2.158372 0.062563 0.860426
C 3.197833 -0.133649 -1.347676
C -2.333307 -3.157494 -0.310075
H -2.046905 2.603534 -0.788748
H -4.908318 0.553908 1.717062
H -3.988525 -1.632768 1.026703
H -3.354103 3.826948 0.981576
H -4.885641 3.369325 0.223089
H -4.586005 2.990901 1.925294
H 0.020166 0.321243 0.878209
H 1.862236 -0.028955 -3.033768
H 2.262810 0.084812 1.950637
H 4.102265 -0.262666 -1.952363
H -1.657760 -3.837548 -0.847639
H -2.209830 -3.257326 0.771514
H -3.369813 -3.308472 -0.623411


%chk=000230698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230698

0 1
S -0.681602 0.698914 -2.098280
O -1.677497 -1.764707 -0.681832
O 4.643815 -0.671070 1.950104
O 5.645466 -0.756448 -0.100414
N 4.609855 -0.586840 0.658166
C -1.975444 0.611667 -0.795180
C -3.719163 1.782052 0.502889
C -2.385895 -0.641510 -0.253964
C -2.636706 1.796513 -0.416559
C -4.107653 0.531396 1.037941
C 0.861777 0.296563 -1.205270
C -3.455955 -0.668741 0.673197
C -4.431889 3.068191 0.882255
C 0.945278 0.204015 0.206382
C 2.021565 0.096528 -2.002284
C 3.320207 -0.281111 0.015198
C 2.175128 -0.085938 0.821443
C 3.255324 -0.190072 -1.395169
C -2.087532 -3.073551 -0.161452
H -2.297969 2.745854 -0.846691
H -4.935972 0.487346 1.755011
H -3.788121 -1.615468 1.109291
H -3.715037 3.862029 1.160903
H -5.036254 3.456401 0.040203
H -5.113226 2.914049 1.736454
H 0.053186 0.364519 0.818942
H 1.954899 0.159343 -3.093531
H 2.266845 -0.160277 1.908254
H 4.160942 -0.348761 -1.986198
H -1.407465 -3.792815 -0.639426
H -1.971453 -3.123001 0.938263
H -3.133851 -3.303370 -0.439947


