%chk=000177324.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177324

0 1
 S    2.555200      4.6000000E-02   2.878900    
 O   0.7100000       1.346700       1.462900    
 O  -0.6231000      -1.830400     -0.6375000    
 O   0.4542000       1.397200      -1.542000    
 O    2.128600      -1.959100      0.5735000    
 O    2.668600      0.7875000      0.3105000    
 O   -2.829200      0.8929000      0.7991000    
 O   -1.255500      -1.078100      -2.728100    
 O   -1.225700       2.967200      -1.766000    
 O   0.6168000      -3.691300      0.3483000    
 O   -4.008400     -7.0799999E-02   2.536300    
 O    4.133700       2.469300     -9.5700003E-02
 N    3.226500       2.009800      0.7711000    
 C   0.3612000     -0.7961000     -0.5555000    
 C  -0.3225000      0.5687000     -0.6689000    
 C    1.103400     -0.9818000      0.7737000    
 C  -0.4778000       1.299700      0.6689000    
 C    1.708100      0.3395000       1.269300    
 C   -1.619100      0.7448000       1.518700    
 C   -1.360900      -1.850700      -1.785100    
 C  -4.4300001E-02   2.648700      -1.768600    
 C    1.703400      -3.175500      0.1235000    
 C   -2.344600      -2.980100      -1.731300    
 C    1.081700       3.603500      -2.026900    
 C   -3.960600      0.4409000       1.425900    
 C    2.778000      -3.810200     -0.7063000    
 C   -5.157500      0.6619000      0.5515000    
 H    1.061000     -0.9398000      -1.391000    
 H   -1.317900      0.5033000      -1.114000    
 H   0.4149000      -1.374900       1.533500    
 H  -0.7323000       2.351500      0.5126000    
 H   -1.462100     -0.3083000       1.770400    
 H   -1.676600       1.300600       2.463200    
 H    1.455400     -0.2910000       3.568300    
 H   -3.014900      -2.846100     -0.8785000    
 H   -1.812500      -3.931700      -1.658000    
 H   -2.942900      -2.983800      -2.646800    
 H    1.821500       3.145200      -2.688800    
 H    1.542500       3.892400      -1.080100    
 H   0.6912000       4.494700      -2.526300    
 H    2.431600      -4.783600      -1.065100    
 H    2.998800      -3.179200      -1.570900    
 H    3.674400      -3.961000     -9.9799998E-02
 H   -5.038100      0.1099000     -0.3843000    
 H   -5.280600       1.729900      0.3557000    
 H   -6.052700      0.2947000       1.061400    


%chk=000177324-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177324

0 1
S 2.599105 -0.711460 2.770870
O 0.594816 0.903997 1.996854
O -1.026255 -1.277748 -0.937315
O 0.294129 2.123001 -0.853809
O 2.045209 -1.833944 -0.068787
O 2.452189 0.877454 0.461282
O -3.023891 1.125446 1.283173
O 0.161498 -2.278366 -2.684304
O -0.625378 1.698821 -2.954570
O 0.724212 -3.742865 0.225607
O -4.302712 -0.360707 2.539830
O 3.859064 2.680484 0.539055
N 3.219544 1.969787 1.293806
C 0.124594 -0.375153 -0.664073
C -0.504628 0.997642 -0.303361
C 0.961491 -0.997830 0.479866
C -0.627503 1.256965 1.201668
C 1.606555 0.088176 1.357351
C -1.799266 0.488006 1.834519
C -0.867743 -2.218758 -1.982106
C 0.149995 2.364202 -2.234955
C 1.787935 -3.222109 -0.169144
C -2.075285 -3.116194 -2.055008
C 1.055606 3.494662 -2.658268
C -4.246036 0.587548 1.729802
C 2.947239 -3.908463 -0.840339
C -5.406558 1.330869 1.109414
H 0.745036 -0.294414 -1.573586
H -1.511562 1.026151 -0.758997
H 0.311620 -1.624963 1.118272
H -0.768232 2.338663 1.364049
H -1.802106 -0.586504 1.582169
H -1.780865 0.600465 2.931549
H 2.120642 0.187801 3.709014
H -2.999301 -2.561608 -1.829457
H -1.960134 -3.911620 -1.295442
H -2.135791 -3.581886 -3.049535
H 2.108257 3.215733 -2.474474
H 0.848843 4.397959 -2.059112
H 0.908151 3.710622 -3.725748
H 2.932224 -4.983410 -0.608302
H 2.841297 -3.777699 -1.933222
H 3.904314 -3.456501 -0.536978
H -5.232090 1.500425 0.034493
H -5.513657 2.320707 1.588763
H -6.333673 0.759613 1.261188


