%chk=000114575.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114575

0 1
 S    2.861000      -2.013900      6.7100003E-02
 S   -1.455000       1.529100     -0.3100000    
 S   -4.329500       2.409300     -0.4206000    
 O   -2.207500      -2.198200      8.8999998E-03
 N    3.822300      0.4377000     -0.1457000    
 N   -3.386200     -0.1737000     -0.1874000    
 C    5.005200     -0.3791000      0.1301000    
 C    4.655900      -1.825300     -0.2445000    
 C    2.629500     -0.2713000     -9.8800004E-02
 C    3.958900       1.879800     -0.1510000    
 C    1.381500      0.2167000     -0.1585000    
 C    3.323500       2.502000       1.075300    
 C   0.2056000     -0.6142000     -0.1007000    
 C   -1.039300     -0.1280000     -0.1601000    
 C   -4.729600     -0.7459000     -0.1577000    
 C   -2.250400     -0.9799000     -0.1010000    
 C   -3.185400       1.196900     -0.3030000    
 C   -5.260600     -0.8419000       1.257700    
 H    5.254500     -0.3121000       1.196300    
 H    5.875000     -3.9500002E-02 -0.4432000    
 H    4.833700      -1.996200      -1.311500    
 H    5.238700      -2.549700      0.3308000    
 H    5.018000       2.161500     -0.1883000    
 H    3.498600       2.292700      -1.056300    
 H    1.247600       1.279500     -0.3142000    
 H    2.234600       2.445500       1.094800    
 H    3.698400       2.033200       1.991800    
 H    3.580400       3.566100       1.119900    
 H   0.2981000      -1.689800     -2.0999999E-03
 H   -5.415200     -0.1681000     -0.7840000    
 H   -4.681300      -1.755100     -0.5834000    
 H   -4.607000      -1.460900       1.881400    
 H   -5.332000      0.1423000       1.730700    
 H   -6.257800      -1.292900       1.260000    


%chk=000114575-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114575

0 1
S 2.950496 -2.112899 0.239525
S -1.606713 1.700089 -0.146616
S -4.625574 2.411779 -0.260097
O -2.361521 -2.190938 -0.168046
N 3.827893 0.377347 -0.125061
N -3.521960 -0.122643 -0.216384
C 5.048508 -0.380952 0.235810
C 4.785646 -1.839381 -0.171149
C 2.634974 -0.319401 -0.015928
C 3.886607 1.846777 -0.267199
C 1.352852 0.219429 -0.082844
C 3.805326 2.606573 1.077066
C 0.156584 -0.558217 -0.100260
C -1.136724 -0.068943 -0.132587
C -4.843733 -0.794759 -0.237501
C -2.324083 -0.925261 -0.169761
C -3.392677 1.257091 -0.210988
C -5.427720 -0.959102 1.178975
H 5.250290 -0.311780 1.325505
H 5.915291 0.035312 -0.308375
H 4.926230 -2.002558 -1.250267
H 5.377160 -2.558509 0.413132
H 4.833101 2.092176 -0.784062
H 3.067441 2.160290 -0.938679
H 1.254446 1.311448 -0.116805
H 2.867274 2.375162 1.610578
H 4.651344 2.346440 1.737968
H 3.838433 3.696038 0.896761
H 0.229471 -1.656483 -0.099482
H -5.512580 -0.184306 -0.868159
H -4.678441 -1.779612 -0.706849
H -4.760997 -1.573410 1.808055
H -5.573935 0.024290 1.657470
H -6.408507 -1.464486 1.119056


