%chk=000016181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016181

0 1
 S   -1.971700     -2.5599999E-02 -0.7325000    
 O   -1.106700      0.4551000       1.683900    
 N   0.5915000     -9.7000003E-03  0.1292000    
 C    1.687000      0.6681000      0.7678000    
 C   0.9498000     -0.9127000     -0.9732000    
 C    2.004300       2.014600      0.1076000    
 C    1.219100      -2.342700     -0.4915000    
 C   0.7924000       2.942400      0.2007000    
 C    2.418600       1.842200      -1.355500    
 C  -3.5500001E-02  -2.919300      0.1658000    
 C    2.393400      -2.396700      0.4883000    
 C  -0.7541000      0.1820000      0.5385000    
 C   -3.489700      0.2978000      0.1913000    
 C   -4.698400      0.2046000     -0.7205000    
 H    2.594000      6.3800000E-02  0.7672000    
 H    1.423600      0.8420000       1.818200    
 H    1.856100     -0.5638000      -1.469700    
 H   0.1844000     -0.9355000      -1.751000    
 H    2.837100       2.473200      0.6550000    
 H    1.470100      -2.956100      -1.365700    
 H    1.075200       3.954800     -0.1097000    
 H   0.4201000       3.009900       1.228200    
 H  -2.8300000E-02   2.630500     -0.4515000    
 H    1.586700       1.541000      -1.999200    
 H    3.244800       1.131400      -1.455000    
 H    2.778600       2.801100      -1.747400    
 H   0.1286000      -3.975100      0.4116000    
 H  -0.8929000      -2.882300     -0.5126000    
 H  -0.2946000      -2.416500       1.102000    
 H    2.153200      -1.954600       1.459900    
 H    3.284900      -1.918200      7.0900001E-02
 H    2.658000      -3.442800      0.6836000    
 H   -3.584800     -0.4314000       1.002200    
 H   -3.442100       1.298600      0.6325000    
 H   -4.649200      0.9402000      -1.530700    
 H   -4.793900     -0.7935000      -1.161500    
 H   -5.611900      0.4024000     -0.1498000    


%chk=000016181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016181

0 1
S -2.079584 -0.112045 -1.340059
O -1.365694 1.121819 1.020413
N 0.409592 0.087308 -0.100662
C 1.386754 0.680192 0.860711
C 0.897285 -0.845971 -1.147395
C 2.016707 2.041353 0.435674
C 1.051230 -2.344669 -0.732754
C 0.963635 3.155767 0.236890
C 2.936606 1.933422 -0.804792
C -0.260661 -2.969078 -0.206259
C 2.207789 -2.597380 0.266291
C -0.918403 0.440336 0.056780
C -3.682033 0.581291 -0.600799
C -4.347010 -0.394710 0.377826
H 2.193756 -0.055889 1.012563
H 0.856060 0.818812 1.819295
H 1.879750 -0.477355 -1.492911
H 0.212753 -0.786429 -2.013389
H 2.655190 2.324557 1.301567
H 1.319245 -2.858098 -1.682296
H 1.461778 4.123273 0.038680
H 0.315633 3.263878 1.123116
H 0.310910 2.928792 -0.625914
H 2.348941 1.731047 -1.719535
H 3.694749 1.134638 -0.690726
H 3.474241 2.886139 -0.966446
H -0.103818 -4.036135 0.038626
H -1.077579 -2.894781 -0.944222
H -0.596306 -2.456222 0.713945
H 1.957154 -2.220157 1.274849
H 3.150516 -2.119448 -0.062418
H 2.396365 -3.682727 0.361815
H -3.398384 1.519847 -0.097794
H -4.313325 0.801644 -1.478266
H -4.584824 -1.358058 -0.106515
H -3.681997 -0.585742 1.236917
H -5.289320 0.039981 0.764594


