%chk=000131509.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131509

0 1
 S   -2.106800      1.9500000E-02  -1.399100    
 O    4.280200      3.7900001E-02 -0.4946000    
 O   -3.836100     -5.9500001E-02   2.040900    
 N   -4.437800     -1.2600000E-02 -0.2205000    
 N   -5.801500     -2.6200000E-02 -4.4000000E-03
 C    2.977100       2.534700     -0.1067000    
 C    3.033200      -2.487400     -0.1087000    
 C    2.273700       1.184700      0.1104000    
 C    2.320900      -1.192100      0.1031000    
 C    2.974900      2.3300000E-02 -9.8800004E-02
 C   0.9591000       1.208600      0.5088000    
 C   0.9862000      -1.207200      0.5077000    
 C    4.213000       2.748100      0.7964000    
 C    3.458300       2.640600      -1.570000    
 C    1.992400       3.686800      0.1886000    
 C    2.046500      -3.605200     -0.5657000    
 C    3.722000      -2.973500       1.203500    
 C    4.164100      -2.460800      -1.188800    
 C   0.3053000     -6.6999998E-03  0.7106000    
 C   -1.086500     -2.2700001E-02   1.133000    
 C   -2.167000     -1.3800000E-02  0.3255000    
 C   -3.559300     -3.1700000E-02  0.8493000    
 C   -3.912900      2.1400001E-02  -1.562200    
 C   -6.395800      -1.204700     -0.6311000    
 C   -6.403100       1.198300     -0.5273000    
 H   0.3723000       2.100200      0.6870000    
 H   0.4495000      -2.129700      0.7024000    
 H    5.032300       2.057900      0.5781000    
 H    3.948600       2.615100       1.852100    
 H    4.616500       3.761100      0.6803000    
 H    2.642500       2.422400      -2.269700    
 H    3.807600       3.657600      -1.787800    
 H    4.289800       1.974300      -1.813800    
 H    1.658300       3.703300       1.233100    
 H    1.126900       3.688100     -0.4853000    
 H    2.487900       4.653100      2.2900000E-02
 H    1.459100      -3.290500      -1.436400    
 H    1.360200      -3.914700      0.2298000    
 H    2.586700      -4.516800     -0.8501000    
 H    4.463300      -2.248000       1.557200    
 H    4.230700      -3.932600       1.054500    
 H    2.986700      -3.105500       2.006000    
 H    5.109600      -2.046100     -0.8274000    
 H    3.846500      -1.929900      -2.093600    
 H    4.422900      -3.481100      -1.501300    
 H   -1.222100     -4.5299999E-02   2.212400    
 H    4.797800     -0.3096000      0.2533000    
 H   -4.213800     -0.8641000      -2.127000    
 H   -4.219200      0.9326000      -2.081600    
 H   -5.896100      -2.121200     -0.2957000    
 H   -6.376100      -1.177600      -1.726400    
 H   -7.444800      -1.294400     -0.3256000    
 H   -6.373700       1.270100      -1.620400    
 H   -5.913400       2.085000     -0.1075000    
 H   -7.455000       1.251800     -0.2235000    


%chk=000131509-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131509

0 1
S -2.317318 1.766784 -0.484134
O 4.463657 0.144945 -0.034706
O -3.866802 -1.880487 -0.062496
N -4.618730 0.344688 -0.334902
N -5.984513 -0.014213 -0.311461
C 2.793709 2.402944 -0.638213
C 3.511023 -2.655202 0.473924
C 2.226111 0.986668 -0.354326
C 2.574174 -1.447471 0.179221
C 3.077999 -0.127326 -0.065016
C 0.836670 0.744944 -0.371382
C 1.174913 -1.611460 0.139070
C 3.572298 2.925872 0.608077
C 3.737374 2.362827 -1.880105
C 1.668410 3.428269 -0.945711
C 2.707310 -3.967967 0.689827
C 4.320799 -2.424457 1.792634
C 4.465712 -2.926936 -0.735275
C 0.277828 -0.539751 -0.122380
C -1.150655 -0.843143 -0.119087
C -2.258484 -0.048827 -0.251516
C -3.628069 -0.650495 -0.203657
C -4.218790 1.755319 -0.441232
C -6.697715 0.235545 -1.578363
C -6.693649 0.367665 0.925834
H 0.172051 1.580643 -0.595743
H 0.743600 -2.599843 0.319631
H 4.413137 2.262698 0.863191
H 2.900748 2.997650 1.483957
H 3.972786 3.936301 0.399574
H 3.186287 2.022295 -2.776636
H 4.127917 3.378209 -2.083230
H 4.590331 1.687220 -1.714261
H 0.971989 3.549878 -0.095404
H 1.083158 3.148613 -1.841388
H 2.129251 4.413446 -1.142676
H 2.115168 -4.238895 -0.202625
H 2.024793 -3.896206 1.555672
H 3.412362 -4.796028 0.887799
H 4.981579 -1.537150 1.783106
H 4.958427 -3.303696 2.000034
H 3.627719 -2.290233 2.642225
H 5.125433 -2.080456 -1.003344
H 3.873192 -3.161463 -1.637675
H 5.115662 -3.793438 -0.512972
H -1.416583 -1.902570 0.022437
H 4.970976 -0.671920 0.186563
H -4.583781 2.216154 -1.375175
H -4.547008 2.344120 0.433547
H -6.103379 -0.171324 -2.412370
H -6.915799 1.312514 -1.779179
H -7.659755 -0.305280 -1.546483
H -6.906125 1.460412 1.014734
H -6.098344 0.045003 1.795191
H -7.657454 -0.170087 0.952771


