%chk=000066895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066895

0 1
 S    5.251600      2.7000001E-03  0.2370000    
 O    5.650100       1.224900      0.9211000    
 O    5.606500      -1.291400      0.8026000    
 N  -0.6230000      0.1517000     -0.5883000    
 N   -1.213400      0.1096000      0.5167000    
 N    5.809400      6.7299999E-02  -1.376800    
 N   -2.693300      -2.291200      0.1965000    
 N   -6.755400      0.3198000     -0.2650000    
 C    3.523100      4.6399999E-02 -6.6000000E-03
 C    2.809700      -1.142500     -0.1600000    
 C    2.855500       1.270400     -4.6300001E-02
 C   0.7612000      0.1168000     -0.3927000    
 C    1.428700      -1.107200     -0.3532000    
 C    1.474500       1.305600     -0.2394000    
 C   -2.604600      0.1450000      0.3197000    
 C   -3.332200      -1.032000      0.1625000    
 C   -5.360200      0.2608000     -6.8700001E-02
 C   -4.712100     -0.9739000     -3.2000002E-02
 C   -3.248100       1.379700      0.2838000    
 C   -4.628000       1.437500      8.9199997E-02
 H    3.310100      -2.106500     -0.1389000    
 H    3.391600       2.208700      6.4300001E-02
 H   0.8819000      -2.038800     -0.4742000    
 H   0.9634000       2.264400     -0.2713000    
 H   -5.284100      -1.891200     -0.1553000    
 H   -2.686500       2.302100      0.4067000    
 H   -5.121400       2.405800      6.2799998E-02
 H    6.259600      0.9355000      -1.691300    
 H    6.227500     -0.7842000      -1.771100    
 H   -3.233100      -3.138400      8.0499999E-02
 H   -1.692800      -2.342800      0.3356000    
 H   -7.225300       1.214800     -0.2923000    
 H   -7.287100     -0.5328000     -0.3803000    


%chk=000066895-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066895

0 1
S 5.462398 -0.450252 -0.308236
O 5.817269 -1.242699 1.071262
O 6.055910 -0.883375 -1.764026
N -0.575501 -0.078852 -0.939600
N -1.331606 -0.185198 0.141592
N 5.985623 1.293831 0.005837
N -2.896639 -0.449395 2.338874
N -6.928105 0.211996 -0.336597
C 3.599320 -0.329975 -0.461925
C 3.046772 -0.217147 -1.749040
C 2.829813 -0.380157 0.716141
C 0.824509 -0.176355 -0.689819
C 1.644945 -0.138183 -1.853098
C 1.431953 -0.303267 0.596703
C -2.708588 -0.077461 -0.056346
C -3.525726 -0.219181 1.134712
C -5.548089 0.113715 -0.226271
C -4.936141 -0.119951 1.029651
C -3.351988 0.156595 -1.310934
C -4.736109 0.252791 -1.408857
H 3.693035 -0.215616 -2.632268
H 3.318612 -0.495669 1.688944
H 1.153653 -0.049635 -2.826888
H 0.791362 -0.337521 1.481853
H -5.555786 -0.226613 1.928451
H -2.711222 0.258224 -2.192171
H -5.219439 0.433793 -2.375870
H 6.592520 1.282646 0.843134
H 6.468304 1.644315 -0.838612
H -3.414477 -0.560728 3.205032
H -1.878189 -0.510701 2.325292
H -7.364982 0.378447 -1.239047
H -7.529614 0.118179 0.477426


