%chk=000145975.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145975

0 1
 S   -3.372700      -3.610600      0.5096000    
 O   0.6336000      0.7661000       1.481500    
 O   -2.979200       1.269000      -1.784500    
 O    3.403000       3.596100     -4.4700000E-02
 O    4.993300       2.789300       1.344700    
 O   -6.474500       1.296800       1.496700    
 N   -1.531300      0.9201000     -5.7000001E-03
 N    2.088500       1.340000     -0.2211000    
 N   -5.158400      0.6836000     -0.3369000    
 C  -0.3143000       1.253900     -0.7080000    
 C   0.8311000       1.089000      0.3097000    
 C   -3.894100      0.5254000      0.3343000    
 C  -0.4070000       2.701300      -1.197400    
 C  -0.1339000      0.2907000      -1.884800    
 C    3.305900       1.247700      0.5529000    
 C   -2.778400      0.9566000     -0.6127000    
 C   -3.699500     -0.8981000      0.8741000    
 C    4.272700      0.2245000     -5.7000000E-02
 C   -3.613300      -1.963800     -0.2211000    
 C    3.676300      -1.158300     -0.1646000    
 C    3.987700       2.603200      0.6674000    
 C    3.815900      -2.061900      0.8889000    
 C    2.985300      -1.532400      -1.317200    
 C   -6.321300       1.052500      0.3069000    
 C    3.264900      -3.339400      0.7898000    
 C    2.434100      -2.809800      -1.416100    
 C    2.573900      -3.713300     -0.3627000    
 C   -1.588100      -3.518000      0.7781000    
 H   -1.471900      0.6895000      0.9818000    
 H   -3.881700       1.219200       1.185200    
 H  -0.6027000       3.384400     -0.3619000    
 H   0.5286000       3.029300      -1.663700    
 H   -1.192900       2.857300      -1.941700    
 H  -0.1026000     -0.7485000      -1.536600    
 H   0.7980000      0.4832000      -2.426200    
 H  -0.9349000      0.3602000      -2.626200    
 H    3.045800      0.9494000       1.575700    
 H    2.174400       1.644800      -1.185500    
 H   -4.539300      -1.134900       1.541600    
 H   -2.797600     -0.9266000       1.495700    
 H    4.592200      0.5559000      -1.055000    
 H    5.195700      0.1752000      0.5359000    
 H   -4.549800      -1.993300     -0.7874000    
 H   -2.808200      -1.760100     -0.9335000    
 H   -5.203000      0.4976000      -1.335000    
 H    4.349800      -1.781000       1.792800    
 H    2.878500     -0.8425000      -2.149600    
 H   -7.158600       1.105900     -0.4083000    
 H    3.372500      -4.042500       1.610400    
 H    1.896700      -3.101300      -2.313800    
 H    2.143500      -4.707600     -0.4394000    
 H    3.877600       4.448600      5.6499999E-02
 H   -1.066500      -3.328100     -0.1637000    
 H   -1.339100      -2.737100       1.500400    
 H   -1.237800      -4.474300       1.176400    


%chk=000145975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145975

0 1
S -3.430010 -3.825228 -0.175764
O 0.730720 0.734675 1.309417
O -3.132913 1.399391 -1.640921
O 3.929204 3.472711 -0.652952
O 5.083338 2.930337 1.294215
O -6.299828 0.352278 1.942433
N -1.474033 0.984529 -0.047709
N 2.142095 1.535173 -0.353046
N -5.124513 0.690453 -0.048520
C -0.301118 1.444364 -0.826905
C 0.902599 1.204911 0.138119
C -3.798894 0.402975 0.510660
C -0.433804 2.957234 -1.165239
C -0.137317 0.594788 -2.119593
C 3.362527 1.380024 0.442189
C -2.766645 0.981408 -0.489062
C -3.576764 -1.122433 0.776190
C 4.275928 0.200324 -0.058170
C -3.613859 -1.971560 -0.503763
C 3.576060 -1.147024 0.006388
C 4.202712 2.655144 0.456885
C 3.388932 -1.803394 1.250074
C 3.093287 -1.770322 -1.171519
C -6.265619 0.667672 0.716157
C 2.734744 -3.052098 1.314800
C 2.436774 -3.021397 -1.111831
C 2.255047 -3.665340 0.133282
C -1.622777 -3.872765 0.353885
H -1.227939 0.652444 0.898064
H -3.707483 0.917885 1.488222
H -0.515419 3.558885 -0.243521
H 0.434863 3.319389 -1.744489
H -1.342735 3.106299 -1.770644
H 0.036223 -0.467122 -1.872135
H 0.712484 0.954556 -2.727569
H -1.055860 0.683211 -2.722159
H 3.047708 1.164354 1.478449
H 2.228337 1.978811 -1.268751
H -4.366876 -1.452415 1.473409
H -2.607488 -1.253675 1.295401
H 4.596530 0.420354 -1.094040
H 5.180954 0.204057 0.578046
H -4.589601 -1.876417 -1.009958
H -2.823111 -1.679044 -1.218207
H -5.120326 1.032828 -1.019110
H 3.756842 -1.336461 2.172275
H 3.240028 -1.279254 -2.141942
H -7.173248 0.959320 0.139933
H 2.599747 -3.547344 2.282641
H 2.076889 -3.494502 -2.032471
H 1.752258 -4.637800 0.183041
H 4.520952 4.272463 -0.636097
H -0.988156 -3.388882 -0.406926
H -1.479348 -3.387388 1.331706
H -1.355194 -4.938483 0.432134


