%chk=000066126.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066126

0 1
 S   -4.798300      0.3638000      0.2708000    
 S    1.931600      0.2233000      -2.397200    
 P    2.185600      1.2600000E-02 -0.4750000    
 O    1.034300     -0.7922000      0.3345000    
 O    3.517600     -0.8060000     -1.9300001E-02
 O    2.338600       1.368700      0.4107000    
 C   -2.586800      -1.290600      0.4856000    
 C   -2.119000       1.049600      0.1088000    
 C   -3.037100      1.5100000E-02  0.2898000    
 C  -0.3083000     -0.5259000      0.3197000    
 C   -1.218700      -1.561700      0.5008000    
 C  -0.7508000      0.7783000      0.1238000    
 C   -3.525200      -2.438400      0.6854000    
 C   -2.544300       2.467800     -0.1050000    
 C    3.626400      -2.190800     -0.3032000    
 C    3.273300       2.361300      2.3200000E-02
 C    4.951000      -2.699700      0.2244000    
 C    3.213200       3.507500       1.010300    
 C   -5.182900      0.1572000      -1.488300    
 H  -0.8520000      -2.573900      0.6517000    
 H  -5.1100001E-02   1.595200     -1.0500000E-02
 H   -4.165200      -2.271600       1.558200    
 H   -4.144700      -2.595000     -0.2033000    
 H   -2.987200      -3.376000      0.8661000    
 H   -1.685300       3.143800     -0.1835000    
 H   -3.111900       2.568200      -1.035500    
 H   -3.147200       2.825000      0.7366000    
 H    2.802200      -2.727900      0.1759000    
 H    3.570000      -2.349400      -1.384100    
 H    4.277200       1.925800      6.6000000E-03
 H    3.029000       2.729900     -0.9770000    
 H    5.067900      -3.768000      2.2100000E-02
 H    5.783400      -2.159000     -0.2381000    
 H    5.025000      -2.534100       1.304300    
 H    3.923600       4.293700      0.7404000    
 H    2.206000       3.936200       1.041900    
 H    3.441500       3.156900       2.022200    
 H   -4.609900      0.8649000      -2.092700    
 H   -6.248000      0.3443000      -1.647800    
 H   -4.954700     -0.8606000      -1.814700    


%chk=000066126-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066126

0 1
S -4.992195 0.337061 0.260015
S 1.950727 -0.144247 -2.382352
P 2.208276 -0.138895 -0.336127
O 0.957390 -0.825176 0.664933
O 3.561154 -0.993498 0.297690
O 2.413077 1.381121 0.449967
C -2.714530 -1.348219 0.429311
C -2.256307 1.094144 0.334722
C -3.169853 -0.000368 0.333910
C -0.421409 -0.508521 0.501374
C -1.321195 -1.589360 0.502483
C -0.869082 0.824101 0.423532
C -3.674942 -2.523726 0.450927
C -2.726956 2.535378 0.256025
C 3.879889 -2.347048 -0.253726
C 3.442667 2.322683 -0.094636
C 5.259419 -2.709800 0.285996
C 3.206322 3.658852 0.601800
C -5.233393 0.330900 -1.619779
H -0.931403 -2.609735 0.566926
H -0.143810 1.643918 0.450594
H -4.365015 -2.458966 1.310823
H -4.309188 -2.547490 -0.453902
H -3.125574 -3.478517 0.512473
H -1.871931 3.230063 0.313871
H -3.267159 2.734219 -0.688112
H -3.431371 2.771555 1.072753
H 3.102635 -3.052791 0.093297
H 3.863214 -2.296741 -1.359708
H 4.441640 1.908469 0.134233
H 3.316306 2.396449 -1.192297
H 5.544815 -3.717203 -0.069471
H 6.017972 -1.987841 -0.060768
H 5.257569 -2.715990 1.388894
H 3.957598 4.394645 0.259968
H 2.201684 4.050484 0.368669
H 3.296612 3.549645 1.695591
H -4.620864 1.119639 -2.082639
H -6.302054 0.531816 -1.795929
H -4.961937 -0.652713 -2.032730


