%chk=000122069.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122069

0 1
 S    5.264900     -0.3833000      0.7787000    
 S   -3.317300       4.209300       1.264300    
 O    3.650700     -9.3900003E-02  0.8327000    
 O    1.923100      -2.479000      0.6422000    
 O   -1.536300      5.3199999E-02  -2.172500    
 O    5.834700      0.4240000       2.075600    
 O    5.802200      0.2572000     -0.4074000    
 O    5.478400      -1.799000       1.015600    
 O   -2.988900      -1.566400      3.7099998E-02
 O   -4.621900      -4.659100      0.8036000    
 O   -2.849000      -4.218200     -0.5566000    
 N    2.987500     -0.5945000     -0.2849000    
 N  -0.1492000     -0.2369000     -0.3030000    
 N   -3.240800     -0.2530000      0.4575000    
 N   -1.646300       2.935000     -0.2412000    
 N   -1.307700       5.271700     -0.1159000    
 C    2.205600      0.2694000      -1.154100    
 C    1.049000     -0.7361000     -0.9977000    
 C    2.015300      -1.525800     -9.8600000E-02
 C    2.826200      0.4349000      -2.521000    
 C    1.984900       1.607300     -0.4895000    
 C   -1.305000      0.1002000     -0.9751000    
 C   -2.391900      0.5877000     -5.2400000E-02
 C   -2.524800       2.008400      0.2858000    
 C   -3.498800       2.509800       1.123400    
 C   -1.968600       4.128300      0.2062000    
 C   -3.955900      -2.414400      0.6369000    
 C   -3.720300      -3.836700      0.2104000    
 H   0.7970000      -1.295700      -1.907000    
 H    3.051700     -0.5337000      -2.981700    
 H    2.146700      0.9662000      -3.196300    
 H    3.762500       1.001900      -2.474500    
 H    2.909900       2.196100     -0.4562000    
 H    1.251200       2.201800      -1.046500    
 H    1.620300       1.528200      0.5416000    
 H  -0.1406000     -0.1379000      0.7097000    
 H    6.809500      0.3679000       2.212600    
 H   -4.287700       1.989600       1.648400    
 H   -3.865300      -2.354700       1.726900    
 H   -4.957600      -2.112100      0.3132000    
 H   -1.589600       6.174100      0.2526000    
 H  -0.5050000       5.267900     -0.7367000    
 H   -4.490300      -5.595500      0.5426000    


%chk=000122069-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122069

0 1
S 3.744254 -3.584687 -0.946003
S -4.781351 3.808442 -0.140348
O 3.120154 0.796717 2.518522
O 1.256967 -2.429694 -0.134521
O -0.445526 1.416607 -2.130278
O 5.473095 -3.138424 -1.246262
O 3.203492 -1.635303 -1.097484
O 3.182365 -4.257374 -2.282446
O -2.180561 -1.618872 -1.113309
O -2.393949 -3.878097 1.772116
O -1.335785 -1.824443 1.556516
N 2.722752 0.105719 1.538697
N 0.051649 0.048049 -0.300081
N -2.995588 -0.465948 -0.647803
N -2.229975 2.984997 0.080365
N -2.555834 5.239603 0.818336
C 2.354264 0.953610 0.278767
C 1.474407 0.005867 -0.615072
C 1.946847 -1.470832 -0.562516
C 3.717669 1.266374 -0.401450
C 1.616898 2.253629 0.652325
C -0.812571 0.728687 -1.130565
C -2.284465 0.645177 -0.733912
C -2.977032 1.911755 -0.447817
C -4.331504 2.140459 -0.639861
C -2.989481 4.042554 0.303141
C -2.592876 -2.787556 -0.354975
C -2.027808 -2.740155 1.063683
H 1.583730 0.362618 -1.657759
H 4.268162 0.347704 -0.660128
H 3.529183 1.836955 -1.328268
H 4.333104 1.883696 0.275814
H 2.275831 2.887222 1.269055
H 1.338035 2.798402 -0.265593
H 0.688350 2.050856 1.210198
H -0.332248 -0.594116 0.416384
H 5.600632 -2.872605 -2.203990
H -5.076258 1.465326 -1.052270
H -3.694814 -2.870920 -0.308041
H -2.177626 -3.659254 -0.887833
H -3.183971 6.023891 0.961759
H -1.566209 5.338627 1.033888
H -2.003908 -3.851066 2.687817


