%chk=000230564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230564

0 1
S -2.488254 2.515430 1.823129
O -4.437938 -1.687530 -0.312426
O 3.998888 -0.792803 0.272045
N -2.500247 0.198436 0.574030
C -3.563508 -0.288957 1.499661
C -2.157289 -0.811947 -0.464591
C -4.795695 -0.705337 0.683475
C -3.432626 -1.214884 -1.226750
C -1.981446 1.443758 0.642355
C -0.933975 1.907490 -0.333764
C 0.371551 1.169620 -0.214237
C 0.964463 0.986436 1.053305
C 1.024378 0.698830 -1.357221
C 2.176075 0.324130 1.174976
C 2.250558 0.029190 -1.260616
C 2.813803 -0.153898 0.007046
C 4.780873 -1.302158 -0.857095
C 5.998654 -1.904537 -0.185282
H -3.843994 0.488151 2.254530
H -3.158869 -1.154594 2.072749
H -1.717058 -1.703466 0.043580
H -1.382657 -0.439977 -1.166840
H -5.534641 -1.252006 1.297760
H -5.277670 0.156365 0.188589
H -3.843062 -0.379007 -1.820023
H -3.266332 -2.095705 -1.873985
H -1.333529 1.873102 -1.370535
H -0.730311 2.998408 -0.160670
H 0.464583 1.376102 1.944947
H 0.589073 0.856120 -2.343621
H 2.650632 0.169966 2.142304
H 2.740768 -0.325448 -2.159800
H 4.172049 -2.050474 -1.392127
H 5.031218 -0.454887 -1.518108
H 6.691342 -2.331447 -0.919012
H 6.543761 -1.150681 0.400937
H 5.713933 -2.698788 0.519390


%chk=000230564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230564

0 1
S -2.487726 2.612848 1.875067
O -4.519804 -1.760261 -0.295242
O 4.099428 -0.783159 0.348236
N -2.587317 0.233595 0.533900
C -3.600468 -0.282414 1.488775
C -2.249533 -0.768438 -0.508468
C -4.853753 -0.744541 0.723194
C -3.534289 -1.217031 -1.238713
C -2.044974 1.492147 0.639987
C -0.972148 1.896365 -0.378890
C 0.361328 1.158718 -0.214523
C 0.937051 0.971864 1.071626
C 1.071771 0.680751 -1.339611
C 2.176350 0.325970 1.222944
C 2.321588 0.030465 -1.207721
C 2.875115 -0.150409 0.083890
C 4.870216 -1.300923 -0.798964
C 6.134767 -1.938313 -0.229258
H -3.839104 0.525644 2.202119
H -3.159480 -1.136555 2.039256
H -1.785574 -1.644214 -0.012930
H -1.519768 -0.364109 -1.222577
H -5.567723 -1.235647 1.403648
H -5.342553 0.127375 0.238791
H -3.971321 -0.358340 -1.794215
H -3.313711 -2.036583 -1.942471
H -1.345167 1.764693 -1.414600
H -0.820397 2.979201 -0.234571
H 0.405316 1.343118 1.955551
H 0.653053 0.823128 -2.344786
H 2.626030 0.180850 2.210172
H 2.841373 -0.322560 -2.103230
H 4.257857 -2.044691 -1.350191
H 5.115635 -0.465480 -1.487131
H 6.755171 -2.348898 -1.046608
H 6.731435 -1.192521 0.322933
H 5.878828 -2.758638 0.462716


