%chk=000197891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197891

0 1
S -3.222753 0.377374 -0.026156
O -0.916601 3.459467 0.032890
O -3.073059 3.223515 0.087624
N 0.619171 1.224150 -0.040259
N -1.943929 2.765511 0.038667
C -0.882892 -0.824741 -0.134983
C -0.600404 0.615714 -0.057896
C -2.275251 -1.087864 -0.111686
C -1.786360 1.366161 -0.016543
C 0.006888 -1.905344 -0.254095
C 1.898976 0.561703 0.060436
C -2.786667 -2.384703 -0.171055
C -0.497362 -3.201417 -0.317077
C -1.884202 -3.441331 -0.270297
C 2.771726 0.609333 -1.037432
C 2.273362 -0.059192 1.263505
C 4.034992 0.023055 -0.921971
C 3.539405 -0.640804 1.357785
C 4.418469 -0.601230 0.269470
H 0.638550 2.272381 -0.043852
H 1.083251 -1.739839 -0.306004
H -3.860716 -2.564399 -0.144195
H 0.186478 -4.044648 -0.407028
H -2.251777 -4.467474 -0.317709
H 2.470279 1.097130 -1.964707
H 1.587551 -0.081523 2.110841
H 4.723606 0.055118 -1.767184
H 3.844275 -1.123068 2.287305
H 5.405995 -1.054734 0.352206


%chk=000197891-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197891

0 1
S -3.307987 0.423547 0.216095
O -0.664791 3.381292 -0.339009
O -2.917512 3.338324 0.161176
N 0.642059 1.073971 -0.349340
N -1.793228 2.730510 -0.064776
C -0.957512 -0.913983 -0.128795
C -0.598856 0.508756 -0.158424
C -2.359844 -1.117313 0.081004
C -1.754010 1.323322 -0.032715
C -0.135382 -2.054360 -0.356540
C 1.936683 0.526156 -0.104675
C -2.929736 -2.405980 0.120945
C -0.701481 -3.340601 -0.329704
C -2.089252 -3.519683 -0.077830
C 3.007430 0.950353 -0.934112
C 2.196528 -0.335812 0.993556
C 4.319760 0.499167 -0.679148
C 3.510099 -0.791138 1.232132
C 4.577493 -0.380008 0.398730
H 0.566853 2.102695 -0.512177
H 0.931357 -1.933854 -0.558026
H -4.003007 -2.540097 0.288919
H -0.065463 -4.213495 -0.508178
H -2.513600 -4.528911 -0.051995
H 2.803064 1.621463 -1.775708
H 1.383263 -0.624056 1.667198
H 5.139209 0.831260 -1.325627
H 3.702549 -1.452681 2.083886
H 5.596317 -0.730545 0.593738


