%chk=000105106.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105106

0 1
 S   -3.574200       2.078200      0.3707000    
 O    4.877300       2.428100     -0.4779000    
 O   -3.766000       2.551500       1.729100    
 O   -3.577000       3.020000     -0.7335000    
 N  -0.5257000      -1.295000     -0.3596000    
 N   -2.117200       1.182900      0.2917000    
 N   -4.740800      0.8571000      6.0899999E-02
 C   0.8747000      0.7751000     -0.3738000    
 C   0.8401000     -0.7591000     -0.5789000    
 C  -0.1875000       1.493900      -1.217200    
 C   -1.565200      0.8662000      -1.051600    
 C    2.266100       1.331800     -0.7188000    
 C   -1.510300     -0.6481000      -1.245100    
 C    1.862100      -1.403300      0.3886000    
 C    3.390300      0.5802000     -5.9300002E-02
 C    3.208100     -0.7222000      0.4295000    
 C  -0.5973000      -2.747900     -0.5465000    
 C   -1.984600      -3.262700     -0.1711000    
 C    4.659100       1.175300      1.6899999E-02
 C    4.291100      -1.392300       1.020500    
 C    5.729600      0.4957000      0.5966000    
 C    5.544900     -0.7875000       1.101000    
 C   -2.078600      -4.771800     -0.3359000    
 C   -5.133700     -3.2699998E-02   1.171000    
 C   -6.185300      -1.013400      0.6929000    
 H   0.6717000      0.9872000      0.6867000    
 H    1.152400     -0.9791000      -1.610800    
 H  -0.2178000       2.558000     -0.9516000    
 H   9.3599997E-02   1.440200      -2.277400    
 H   -2.217600       1.280200      -1.828500    
 H    2.278200       2.382500     -0.4029000    
 H    2.425800       1.300200      -1.804300    
 H   -2.529700     -0.9893000      -1.055300    
 H   -1.279900     -0.8713000      -2.295600    
 H    2.035000      -2.445400      9.4700001E-02
 H    1.459200      -1.402600       1.410400    
 H  -0.3488000      -3.028100      -1.578200    
 H   0.1101000      -3.261900      0.1113000    
 H   -1.874800      0.5389000       1.054600    
 H   -2.224800      -2.995200      0.8649000    
 H   -2.776300      -2.863200     -0.8091000    
 H    4.160900      -2.394600       1.421800    
 H    6.709500      0.9614000      0.6564000    
 H    6.375800      -1.318300       1.556300    
 H   -1.886400      -5.067100      -1.372400    
 H   -1.354500      -5.282400      0.3071000    
 H   -3.078900      -5.122500     -6.2700003E-02
 H   -4.695900      0.4099000     -0.8639000    
 H    4.171600       2.682500      -1.092700    
 H   -4.255500     -0.5866000       1.518200    
 H   -5.532800      0.5601000       1.999500    
 H   -7.073600     -0.4884000      0.3259000    
 H   -5.802100      -1.633000     -0.1250000    
 H   -6.490100      -1.675500       1.509000    


%chk=000105106-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105106

0 1
S -3.604581 1.905319 0.556859
O 5.125067 2.365521 -0.566594
O -3.702738 2.057068 2.161002
O -3.730444 3.109390 -0.517964
N -0.532013 -1.174147 -0.463728
N -1.933485 1.217883 0.280378
N -5.017802 0.802152 0.112244
C 0.946396 0.857534 -0.453397
C 0.882732 -0.684045 -0.639155
C -0.093725 1.602346 -1.314096
C -1.500163 0.998699 -1.121657
C 2.366130 1.380557 -0.768240
C -1.441556 -0.512065 -1.438872
C 1.839264 -1.343209 0.381104
C 3.474855 0.576565 -0.105902
C 3.230594 -0.716222 0.424765
C -0.658954 -2.661292 -0.495748
C -2.052203 -3.190540 -0.089171
C 4.795497 1.101848 -0.036025
C 4.292896 -1.446660 1.013463
C 5.852465 0.381522 0.556708
C 5.592287 -0.900035 1.083947
C -2.037252 -4.724014 0.097216
C -5.145579 -0.463834 0.869045
C -6.563661 -1.027360 0.651353
H 0.722032 1.062671 0.612751
H 1.237070 -0.923331 -1.677895
H -0.118640 2.673865 -1.047459
H 0.177066 1.524829 -2.388107
H -2.211112 1.519623 -1.791947
H 2.399532 2.444671 -0.445090
H 2.511795 1.384090 -1.871190
H -2.448135 -0.954148 -1.345891
H -1.102025 -0.660238 -2.495054
H 1.964889 -2.420098 0.167916
H 1.362792 -1.269409 1.381262
H -0.389531 -3.068205 -1.504273
H 0.066196 -3.078533 0.222248
H -1.739868 0.413389 0.906037
H -2.352739 -2.696823 0.856052
H -2.814615 -2.933220 -0.850072
H 4.098115 -2.447664 1.416581
H 6.849009 0.831131 0.589366
H 6.405532 -1.471962 1.543577
H -1.719004 -5.236144 -0.830386
H -1.340236 -5.021694 0.902586
H -3.040313 -5.102866 0.362905
H -5.073505 0.740471 -0.918136
H 4.321208 2.829879 -0.908644
H -4.385256 -1.226078 0.584407
H -4.999579 -0.215649 1.935266
H -7.318326 -0.289332 0.969288
H -6.745504 -1.274866 -0.410971
H -6.696575 -1.950736 1.243941


