%chk=000257186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257186

0 1
S -2.905541 0.382441 -0.054895
S -3.069678 -2.662260 0.107106
O 1.641519 -1.661539 2.091872
O 1.129669 1.180201 -1.761342
O 4.592532 1.687622 1.155224
O -4.906231 -1.092647 0.795142
N 3.099034 -0.010522 1.608189
N 2.832994 1.410497 -0.308191
C 1.170422 -0.472238 0.023875
C 1.289453 -1.711178 -0.896880
C -0.298536 -0.224614 0.466561
C 1.944204 -0.790369 1.311805
C 1.661888 0.744361 -0.764473
C 2.735126 -2.054335 -1.277191
C -1.265237 -0.053125 -0.693048
C 2.779658 -3.261270 -2.210243
C 3.594636 1.077634 0.844532
C -3.683711 -1.167166 0.307971
C -5.583489 0.207508 1.017396
C -6.926125 -0.218638 1.567882
H 0.813565 -2.580206 -0.390530
H 0.690844 -1.540337 -1.816999
H -0.330119 0.660177 1.137093
H -0.617256 -1.092712 1.097702
H 3.334078 -2.270682 -0.369525
H 3.223029 -1.189611 -1.769707
H -1.320888 -0.968103 -1.323712
H -0.963640 0.774693 -1.379268
H 3.628065 -0.250755 2.464266
H 3.169309 2.216026 -0.863555
H 2.335867 -4.151226 -1.746914
H 2.239204 -3.074897 -3.146130
H 3.812727 -3.515949 -2.476979
H -4.983871 0.786243 1.740967
H -5.659516 0.724156 0.044944
H -7.560950 0.648480 1.788096
H -7.466912 -0.863496 0.858918
H -6.816122 -0.802561 2.494041


%chk=000257186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257186

0 1
S -2.923989 0.497314 -0.115155
S -2.876478 -2.656680 -0.067465
O 1.732688 -1.801989 1.964169
O 1.408696 1.068281 -1.959944
O 4.331062 2.022182 1.516754
O -4.889736 -1.152930 0.783854
N 2.991656 0.113979 1.703047
N 2.811827 1.516683 -0.186962
C 1.263744 -0.468759 -0.045501
C 1.306074 -1.733319 -0.966040
C -0.224169 -0.141590 0.395768
C 2.003729 -0.791045 1.268346
C 1.821939 0.738779 -0.815929
C 2.731858 -2.210644 -1.322277
C -1.212354 0.041979 -0.767883
C 2.699899 -3.438809 -2.256953
C 3.441049 1.272203 1.047131
C -3.630572 -1.183123 0.237155
C -5.606158 0.139343 1.071325
C -6.946933 -0.250183 1.681496
H 0.756421 -2.540279 -0.447595
H 0.763138 -1.494132 -1.897826
H -0.222069 0.767434 1.028794
H -0.555426 -0.989886 1.022721
H 3.284610 -2.471522 -0.398071
H 3.291670 -1.390926 -1.817309
H -1.348234 -0.888396 -1.342465
H -0.937187 0.866004 -1.443472
H 3.448243 -0.095548 2.597265
H 3.143692 2.342649 -0.696614
H 2.165328 -4.282491 -1.782555
H 2.183441 -3.201993 -3.205667
H 3.721070 -3.780910 -2.503653
H -4.984199 0.733271 1.766918
H -5.722186 0.691054 0.119678
H -7.525520 0.661537 1.916983
H -7.534045 -0.865034 0.979313
H -6.802577 -0.822903 2.612618


