%chk=000122381.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122381

0 1
 S    4.793400      0.3225000      9.5899999E-02
 O    5.296400      3.1300001E-02  -1.430800    
 O    5.061500       1.724200      0.3743000    
 O    5.322000     -0.7229000      0.9558000    
 O   -1.855000       1.905600      0.2294000    
 N   -1.107900     -0.3015000     -4.6200000E-02
 N    3.287000      -2.304900     -0.2566000    
 C    3.055900      0.1085000      5.0799999E-02
 C   0.3015000     -0.1629000     -1.3500000E-02
 C    2.483100      -1.152200     -0.1172000    
 C    1.095200      -1.288900     -0.1496000    
 C    2.240700       1.232400      0.1863000    
 C   0.8530000       1.095600      0.1540000    
 C   -2.086100      0.6958000      7.1599998E-02
 C   -3.466100      0.2401000      2.6400000E-02
 C   -4.469600       1.098100     -0.4240000    
 C   -3.786800      -1.055200      0.4329000    
 C   -5.793500      0.6609000     -0.4676000    
 C   -5.110700      -1.492400      0.3891000    
 C   -6.114000     -0.6342000     -6.1200000E-02
 H   0.6457000      -2.270400     -0.2801000    
 H    2.654400       2.228100      0.3160000    
 H   0.2918000       2.011200      0.2648000    
 H   -1.414400      -1.255700     -0.2146000    
 H    2.848600      -3.208400     -0.3796000    
 H    4.295000      -2.241200     -0.2539000    
 H   -4.240800       2.109400     -0.7502000    
 H   -3.047600      -1.746200      0.8272000    
 H   -6.574800       1.328600     -0.8189000    
 H   -5.362400      -2.497800      0.7138000    
 H   -7.145000     -0.9740000     -9.3599997E-02
 H    4.939200      0.6421000      -2.117700    


%chk=000122381-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122381

0 1
S 4.880590 0.331405 0.052637
O 5.110024 0.546132 -1.785527
O 5.308321 1.714681 0.770069
O 5.641027 -1.053442 0.469649
O -1.907973 1.960361 -0.011362
N -1.136992 -0.260142 -0.070459
N 3.235549 -2.363242 -0.147114
C 3.055697 0.095839 0.056157
C 0.268468 -0.085391 -0.027091
C 2.482444 -1.210425 -0.076279
C 1.058485 -1.254894 -0.110942
C 2.277721 1.267573 0.142447
C 0.879567 1.197531 0.110935
C -2.144720 0.715584 -0.023498
C -3.551945 0.175971 -0.011375
C -4.581771 1.046187 -0.453201
C -3.892822 -1.123795 0.450509
C -5.924317 0.617047 -0.460946
C -5.238826 -1.550331 0.447308
C -6.256588 -0.684486 -0.015374
H 0.575688 -2.236676 -0.202616
H 2.780506 2.234603 0.247665
H 0.260622 2.091614 0.173694
H -1.455914 -1.224125 -0.188144
H 2.779590 -3.264826 -0.255371
H 4.252324 -2.314567 -0.005532
H -4.303805 2.054111 -0.777654
H -3.130014 -1.796582 0.862867
H -6.710890 1.294357 -0.810190
H -5.494498 -2.549224 0.816774
H -7.300237 -1.017316 -0.017681
H 6.074390 0.772067 -1.937353


