%chk=000089155.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089155

0 1
 S    4.854000       1.578700     -6.9899999E-02
 O   -5.599400      0.7341000      0.6533000    
 O    5.889200      0.5915000     -0.3427000    
 O    4.797400       2.803400     -0.8557000    
 O    2.947100      -3.251900      0.4337000    
 O   0.7759000      -3.191700      0.1154000    
 N  -0.4526000      -1.090700     -0.3990000    
 N    1.891500      -2.624600      0.1833000    
 N    4.909800       1.992600       1.586900    
 C   0.8124000     -0.4771000     -0.3153000    
 C    3.300300      0.7877000     -0.1629000    
 C    1.961900      -1.219500     -3.0800000E-02
 C    3.203500     -0.5882000      4.5200001E-02
 C   0.9139000      0.9009000     -0.5231000    
 C   -1.758100     -0.6283000     -0.1321000    
 C    2.155400       1.532200     -0.4473000    
 C   -2.841000      -1.149300     -0.8401000    
 C   -1.965900      0.3508000      0.8394000    
 C   -4.339900      0.2881000      0.3949000    
 C   -4.131800     -0.6910000     -0.5766000    
 C   -3.256700      0.8090000       1.103000    
 C   -6.529500      0.7156000     -0.4285000    
 C   -7.537500       1.827700     -0.2312000    
 H    4.105000      -1.151200      0.2728000    
 H  -0.4326000      -2.019500     -0.8092000    
 H   4.5200001E-02   1.505400     -0.7697000    
 H    2.207400       2.604800     -0.6120000    
 H   -2.692300      -1.916300      -1.596000    
 H   -1.144600      0.7578000       1.422800    
 H   -4.949600      -1.142400      -1.130500    
 H   -3.413300       1.568100       1.864500    
 H    5.564600       1.475000       2.185900    
 H    4.816900       2.985600       1.833700    
 H   -6.036500      0.8863000      -1.393800    
 H   -7.043500     -0.2518000     -0.4447000    
 H   -8.274500       1.836400      -1.039300    
 H   -8.061500       1.708300      0.7229000    
 H   -7.036700       2.801100     -0.1991000    


%chk=000089155-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089155

0 1
S 5.020355 1.516980 -0.062359
O -5.605213 1.223787 0.253664
O 6.123421 0.376198 -0.426294
O 4.887491 2.929916 -0.861900
O 3.075084 -3.392754 0.245700
O 0.819949 -3.378239 -0.087485
N -0.461782 -1.106087 -0.144704
N 1.973066 -2.752977 0.048512
N 5.229678 2.004594 1.704005
C 0.778166 -0.509149 -0.125853
C 3.339972 0.699856 -0.075599
C 1.992057 -1.297979 -0.026686
C 3.269063 -0.683985 0.007494
C 0.937338 0.916215 -0.242815
C -1.742757 -0.478459 -0.073258
C 2.193783 1.518531 -0.219643
C -2.793160 -1.004789 -0.863646
C -2.022170 0.589395 0.824582
C -4.360175 0.609372 0.094499
C -4.096836 -0.472879 -0.784419
C -3.314432 1.131574 0.900065
C -6.740441 0.712832 -0.546667
C -7.956673 1.555344 -0.174803
H 4.165167 -1.308950 0.072155
H -0.410862 -2.142991 -0.194507
H 0.047430 1.531647 -0.390397
H 2.306512 2.599943 -0.346471
H -2.585253 -1.830547 -1.553134
H -1.239897 0.968543 1.489472
H -4.885033 -0.900283 -1.409884
H -3.544237 1.947899 1.591110
H 5.885926 1.345441 2.155704
H 5.567757 2.982082 1.713128
H -6.498043 0.805870 -1.625088
H -6.902266 -0.358327 -0.308174
H -8.840744 1.214575 -0.743451
H -8.177977 1.466144 0.902185
H -7.780365 2.619257 -0.406841


