%chk=000100466.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100466

0 1
 S   -1.127300       3.209900     -9.7599998E-02
 S   -2.673700     -0.8342000      1.4000000E-02
 O    6.315900      -1.630500      0.2988000    
 O   -6.384800      -1.892100      0.1271000    
 O   -4.517200      -3.053400      9.8700002E-02
 N    3.815400     -0.3413000     -0.1590000    
 N    2.497700     -5.3500000E-02 -0.1265000    
 N  -0.1460000      0.8184000     -7.8000002E-02
 N   -5.123700      -1.945800      9.5299996E-02
 C    4.158000      -1.611500     -0.8066000    
 C    4.546200     -0.1802000       1.103300    
 C    5.668100      -1.747000     -0.9675000    
 C    6.044900     -0.3586000      0.8867000    
 C    2.263300       1.217700     -0.1467000    
 C   0.8951000       1.710600     -0.1208000    
 C   -1.270000       1.500100     -6.2399998E-02
 C   -2.540500      0.8734000     -1.9400001E-02
 C   0.5790000       3.042300     -0.1374000    
 C   -3.774700       1.487000      1.9999999E-04
 C   -4.383800     -0.7552000      5.4600000E-02
 C   -4.841800      0.5439000      4.3200001E-02
 H    3.687100      -1.670300      -1.794700    
 H    3.773300      -2.443600     -0.2033000    
 H    4.187000     -0.9243000       1.825700    
 H    4.371900      0.8109000       1.537200    
 H    5.912100      -2.732400      -1.377300    
 H    6.069900     -0.9933000      -1.655700    
 H    6.458000      0.4346000      0.2517000    
 H    6.567500     -0.3184000       1.847800    
 H    3.067000       1.977000     -0.1954000    
 H    1.231500       3.903500     -0.1698000    
 H   -3.940500       2.556900     -1.4600000E-02
 H   -5.889300      0.8184000      6.4499997E-02


%chk=000100466-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100466

0 1
S -1.247593 3.302429 0.679224
S -2.627271 -0.907444 -0.401528
O 6.466711 -1.612198 0.007545
O -6.482010 -1.871263 -0.858462
O -4.538061 -3.088308 -1.038323
N 3.875836 -0.381130 0.050116
N 2.586965 0.061852 0.142914
N -0.161277 0.900331 0.173926
N -5.190908 -1.987612 -0.811409
C 4.007567 -1.852506 0.137527
C 5.065316 0.405702 0.456705
C 5.297267 -2.310772 -0.558414
C 6.328311 -0.170022 -0.219918
C 2.299333 1.325698 0.419518
C 0.908625 1.767439 0.440611
C -1.342738 1.495010 0.246278
C -2.612414 0.852762 0.020738
C 0.521737 3.086109 0.728911
C -3.906282 1.394862 0.075577
C -4.424893 -0.815363 -0.484960
C -4.934732 0.452330 -0.210393
H 3.114592 -2.292249 -0.335943
H 4.031110 -2.168777 1.202575
H 5.175043 0.395009 1.563658
H 4.945993 1.455082 0.129679
H 5.476954 -3.383476 -0.384892
H 5.236916 -2.113943 -1.650259
H 6.286829 0.036571 -1.311431
H 7.234479 0.290139 0.206535
H 3.046477 2.105750 0.640300
H 1.162487 3.933656 0.964798
H -4.101173 2.443245 0.315466
H -6.003599 0.670086 -0.220570


