%chk=000121582.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121582

0 1
 S   -5.025200      0.6439000      0.4571000    
 O    1.027500       2.091500      -2.302400    
 O    4.003500     -0.5791000      0.2009000    
 O   -5.163300      0.4367000       1.891700    
 O   -5.558300       1.854600     -0.1526000    
 N   0.7616000      0.1721000     -0.9190000    
 N    1.669400     -0.6911000     -0.2586000    
 C    2.905300       1.034300      -1.217200    
 C    3.429300       2.282900     -0.5312000    
 C    1.452900       1.183400      -1.603700    
 C    2.967700     -0.1602000     -0.2945000    
 C    2.638100       2.598700      0.7378000    
 C  -0.6236000      0.2843000     -0.5901000    
 C    3.190200       3.837000       1.443500    
 C    1.410500      -2.066700      2.3399999E-02
 C   -1.479600       1.025800      -1.407000    
 C   -1.126500     -0.3461000      0.5501000    
 C    2.427200       4.135000       2.724400    
 C    2.274500      -2.787400      0.8507000    
 C   0.2918000      -2.695900     -0.5266000    
 C   -3.332300      0.5055000      5.4000001E-02
 C   -2.832400       1.136300      -1.085200    
 C   -2.479300     -0.2357000      0.8717000    
 C    2.020900      -4.130900       1.126800    
 C   3.7999999E-02  -4.039500     -0.2505000    
 C   0.9026000      -4.756900      0.5762000    
 C   -5.790200     -0.7324000     -0.3700000    
 H    3.479100      0.8055000      -2.121900    
 H    3.372600       3.136700      -1.217600    
 H    4.487400       2.146500     -0.2758000    
 H    1.582400       2.774500      0.5008000    
 H    2.676200       1.755800       1.437400    
 H    3.127900       4.704500      0.7763000    
 H    4.249200       3.687900       1.684500    
 H   -1.158000       1.492400      -2.330600    
 H  -0.4972000     -0.8637000       1.265900    
 H    2.499400       3.299400       3.427900    
 H    1.368300       4.319000       2.516500    
 H    2.837400       5.025200       3.211400    
 H    3.129100      -2.339800       1.344100    
 H  -0.3672000      -2.211500      -1.239200    
 H   -3.483200       1.703800      -1.744700    
 H   -2.844700     -0.7260000       1.769600    
 H    2.687900      -4.687600       1.778800    
 H  -0.8228000      -4.532400     -0.6931000    
 H   0.7059000      -5.803500      0.7898000    
 H   -5.356200      -1.659800      8.5000005E-03
 H   -6.860100     -0.7063000     -0.1524000    
 H   -5.626300     -0.6369000      -1.445000    


%chk=000121582-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121582

0 1
S -5.128140 0.623794 0.475769
O 1.009791 2.144141 -2.262571
O 3.994781 -0.751510 0.229675
O -5.208159 0.633807 2.111140
O -5.745888 1.824711 -0.448968
N 0.779602 0.155448 -0.985786
N 1.670424 -0.706101 -0.239585
C 2.974128 1.060412 -1.158617
C 3.520876 2.332384 -0.447279
C 1.516846 1.218813 -1.585258
C 2.998082 -0.199256 -0.294040
C 2.751168 2.717748 0.834834
C -0.609805 0.227472 -0.641161
C 3.330464 3.986934 1.500314
C 1.338517 -2.096017 -0.047197
C -1.518014 0.779356 -1.584617
C -1.060559 -0.204455 0.635025
C 2.578881 4.381144 2.789744
C 1.933886 -2.790864 1.034651
C 0.460658 -2.762871 -0.937628
C -3.303690 0.430964 0.007128
C -2.882926 0.893471 -1.249657
C -2.426471 -0.102350 0.964409
C 1.650989 -4.162278 1.212288
C 0.176392 -4.129842 -0.735681
C 0.769549 -4.836362 0.336149
C -5.958558 -1.003418 -0.106375
H 3.605690 0.865660 -2.047512
H 3.482014 3.165838 -1.173876
H 4.584086 2.143777 -0.205706
H 1.682326 2.893209 0.595711
H 2.788070 1.879765 1.560958
H 3.291786 4.826290 0.776732
H 4.402478 3.820265 1.730590
H -1.152993 1.135627 -2.549231
H -0.352446 -0.600638 1.366488
H 2.629092 3.571758 3.542280
H 1.511045 4.581251 2.581827
H 3.010165 5.291520 3.244339
H 2.619393 -2.269732 1.706302
H 0.014248 -2.224166 -1.778559
H -3.598976 1.354331 -1.938215
H -2.797241 -0.391844 1.953349
H 2.118551 -4.701190 2.043163
H -0.503337 -4.644297 -1.423571
H 0.548007 -5.898257 0.485850
H -5.469380 -1.825678 0.433384
H -7.015227 -0.892670 0.174760
H -5.822778 -1.062294 -1.194870


