%chk=000112024.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112024

0 1
 S    2.011200       1.565300     -6.3500002E-02
 S    4.911600      0.9769000      0.4728000    
 O   0.8784000     -0.1465000      -1.789500    
 O  -0.9347000       1.773900     -0.8127000    
 O   -1.523800     -0.8444000      -1.708800    
 O   -3.951900      -1.130900     -0.4393000    
 O   -4.696600      0.5804000       1.608700    
 N    2.819300     -0.8226000      0.4908000    
 C   0.8391000      0.2244000     -0.4151000    
 C  -0.5849000      0.6150000     -4.8700001E-02
 C   -1.628600     -0.4805000     -0.3270000    
 C    1.366900     -0.9315000      0.4232000    
 C   -3.081600     -6.8499997E-02 -4.5000002E-02
 C    3.330800      0.4596000      0.3318000    
 C   -3.325900      0.2361000       1.432300    
 C    3.570600      -2.006700      0.8901000    
 H  -0.6346000      0.8958000       1.009900    
 H   -1.387200      -1.381900      0.2487000    
 H   0.9978000     -0.9011000       1.455800    
 H    1.107900      -1.900200     -1.9099999E-02
 H   -3.372500      0.7880000     -0.6629000    
 H   0.6974000      0.6579000      -2.304900    
 H   -3.121600     -0.6422000       2.053400    
 H   -2.720700       1.077300       1.779700    
 H  -0.2873000       2.468300     -0.6018000    
 H    3.319300      -2.827900      0.2127000    
 H    3.280800      -2.272400       1.910800    
 H    4.648300      -1.839000      0.8578000    
 H   -2.175500      -1.546900      -1.874500    
 H   -3.724700      -1.914200      9.0400003E-02
 H   -4.824700      0.7630000       2.555200    


%chk=000112024-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112024

0 1
S 2.125947 1.704455 0.285554
S 5.087474 0.929966 0.778966
O 0.901327 0.331754 -1.713207
O -0.969397 1.900392 -0.448786
O -1.242748 -1.109537 -1.304852
O -3.702891 -1.271392 -0.440157
O -4.973837 0.406224 1.228814
N 2.965018 -0.803693 0.425584
C 0.906292 0.342637 -0.250497
C -0.528631 0.685825 0.234948
C -1.510541 -0.495017 0.013459
C 1.500498 -0.948053 0.357344
C -2.987718 -0.070501 0.036919
C 3.478784 0.470590 0.508117
C -3.511573 0.339043 1.416209
C 3.792215 -2.010470 0.543037
H -0.511280 0.931282 1.310980
H -1.344094 -1.267412 0.795328
H 1.095540 -1.115152 1.379704
H 1.229277 -1.813718 -0.272735
H -3.140632 0.767016 -0.669698
H 0.171990 -0.325346 -1.966045
H -3.253223 -0.423239 2.181138
H -3.095303 1.324626 1.700948
H -0.545681 1.883425 -1.353255
H 3.653542 -2.655914 -0.343516
H 3.528294 -2.582975 1.453439
H 4.846873 -1.697559 0.610551
H -2.073548 -1.596316 -1.562809
H -4.670683 -1.118165 -0.280158
H -5.418692 0.711725 2.055975


