%chk=000233118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233118

0 1
S -3.309554 0.037623 1.987858
O 2.362018 -0.028129 0.498347
O -2.914103 0.032744 -1.848950
O -0.662019 0.006803 2.204227
N -1.575982 0.017239 0.027443
C -0.300084 0.002253 -0.783964
C 0.469630 -1.257600 -0.487268
C 0.498529 1.244156 -0.487985
C 1.718405 -1.211540 0.148347
C 1.745906 1.169631 0.147669
C -2.840920 0.032001 -0.642751
C -0.042246 -2.520407 -0.830963
C 0.015948 2.518247 -0.832416
C -1.577147 0.017375 1.443607
C -4.000231 0.045606 0.314740
C 2.452993 -2.366884 0.466360
C 2.506978 2.307888 0.465030
C 0.670277 -3.679664 -0.530256
C 0.755051 3.660913 -0.532365
C 1.911578 -3.601621 0.123039
C 1.994220 3.554599 0.120992
H -0.616789 0.005601 -1.871535
H -1.007364 -2.587170 -1.335663
H -0.947370 2.606979 -1.337175
H -4.639665 0.940060 0.154114
H -4.660420 -0.833653 0.154202
H 3.413111 -2.275903 0.970355
H 3.464740 2.195048 0.969086
H 0.264207 -4.652802 -0.799463
H 0.371564 4.643015 -0.802137
H 2.456211 -4.516236 0.360569
H 2.559827 4.456532 0.358004


%chk=000233118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233118

0 1
S -3.331972 0.039479 2.112330
O 2.318287 -0.027690 0.620584
O -2.971389 0.028790 -1.867551
O -0.566148 0.010241 2.169505
N -1.598784 0.018515 0.043136
C -0.305870 0.002976 -0.752441
C 0.478278 -1.269403 -0.480220
C 0.508324 1.256545 -0.481050
C 1.713369 -1.230855 0.208918
C 1.741999 1.189316 0.208402
C -2.840031 0.030439 -0.616219
C -0.017761 -2.529462 -0.894767
C 0.042157 2.527739 -0.896224
C -1.581725 0.020260 1.457393
C -4.016246 0.043564 0.357336
C 2.428468 -2.410100 0.509040
C 2.484498 2.351496 0.508487
C 0.684019 -3.717317 -0.609706
C 0.771524 3.698879 -0.611220
C 1.908740 -3.653511 0.102206
C 1.994148 3.606642 0.101190
H -0.679514 0.007196 -1.794871
H -0.966788 -2.570714 -1.443442
H -0.905489 2.591045 -1.445185
H -4.623019 0.947511 0.192929
H -4.640616 -0.848827 0.195743
H 3.374247 -2.329839 1.052505
H 3.427939 2.249173 1.052309
H 0.285904 -4.683389 -0.935967
H 0.396295 4.673935 -0.937878
H 2.458898 -4.571824 0.333443
H 2.565559 4.511895 0.332384


