%chk=000234020.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234020

0 1
S -3.474869 0.495694 -0.923437
O -1.461653 -1.504449 -1.485734
O -1.373553 -1.059641 0.733746
C 0.730257 1.156153 -0.168310
C 1.509296 -0.111844 0.186723
C 0.332123 -0.202908 -0.793409
C 1.336105 2.175280 -1.103528
C -0.159110 1.766127 0.886650
C 2.882610 -0.357753 -0.303813
C -0.898656 -0.904010 -0.371812
C 3.983287 0.146949 0.277406
C 3.937028 1.031113 1.484091
C 5.353156 -0.159342 -0.245509
C -2.774652 -2.106526 -1.332695
C -3.810148 -1.080581 -1.755813
C -4.087045 0.220049 0.778035
C -4.241381 1.589365 1.403280
H 1.340508 -0.533820 1.193052
H 0.550706 -0.344189 -1.863946
H 1.857031 2.963482 -0.546296
H 2.069990 1.729648 -1.787837
H 0.561706 2.654513 -1.716462
H -0.666395 1.002009 1.499479
H 0.412145 2.407034 1.566703
H -0.951132 2.375650 0.431433
H 2.948878 -1.008013 -1.175411
H 3.879295 0.428332 2.401959
H 4.820631 1.674204 1.570149
H 3.054965 1.687748 1.475275
H 5.833053 0.744910 -0.644584
H 6.003165 -0.550847 0.549018
H 5.345428 -0.904032 -1.051594
H -2.721581 -2.970361 -2.021079
H -2.907854 -2.456534 -0.290993
H -4.838353 -1.433082 -1.565256
H -3.737997 -0.865942 -2.843203
H -5.041066 -0.332594 0.761684
H -3.344800 -0.399471 1.329250
H -3.288569 2.135580 1.443461
H -4.957255 2.219064 0.857108
H -4.604793 1.506936 2.437019


%chk=000234020-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000234020

0 1
S -4.000410 0.355272 -1.011198
O -1.250832 -1.415869 -1.255917
O -1.050243 -0.546935 0.912975
C 0.736774 1.652551 -0.580520
C 1.652195 0.605881 0.077446
C 0.492310 0.135776 -0.867702
C 1.246948 2.472144 -1.765885
C -0.240543 2.414228 0.312241
C 3.067229 0.383679 -0.316689
C -0.650444 -0.595103 -0.280411
C 4.076069 -0.086277 0.477141
C 3.917739 -0.483029 1.934142
C 5.483227 -0.248298 -0.074611
C -2.498422 -2.115302 -0.865738
C -3.715360 -1.442048 -1.512592
C -4.328621 0.141202 0.848923
C -4.735373 1.499518 1.438861
H 1.411540 0.425818 1.131545
H 0.768343 -0.203481 -1.869815
H 1.850144 3.328213 -1.408586
H 1.873324 1.882170 -2.457141
H 0.394071 2.872245 -2.344636
H -0.586351 1.799219 1.159321
H 0.249859 3.321922 0.711959
H -1.131167 2.728184 -0.264654
H 3.318701 0.628134 -1.359320
H 4.217541 -1.539743 2.081651
H 4.583305 0.125325 2.578648
H 2.887924 -0.371110 2.308289
H 6.208950 0.362594 0.499195
H 5.823426 -1.300259 0.006387
H 5.547993 0.051236 -1.135229
H -2.387439 -3.143867 -1.253059
H -2.571459 -2.137856 0.235464
H -4.624222 -2.024840 -1.272569
H -3.599271 -1.407252 -2.608967
H -5.133468 -0.606588 0.966479
H -3.395624 -0.226793 1.307090
H -3.931909 2.245613 1.301939
H -5.654588 1.888971 0.966119
H -4.921363 1.398658 2.524222


