%chk=000101389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101389

0 1
 S   0.2342000      4.2199999E-02   2.205000    
 P   0.1211000     -9.6000001E-02  0.2590000    
 O   -1.016500      0.8076000     -0.4739000    
 O  -0.2020000      -1.563700     -0.3530000    
 O    1.447100      0.3123000     -0.5826000    
 O  -0.8539000       7.020800      0.3920000    
 O   -5.925700      -3.877300      0.7727000    
 O    6.768300      -2.771300      0.6654000    
 O   -2.995100       6.744600     -5.2000000E-03
 O   -5.071900      -5.521600     -0.4048000    
 O    7.588500     -0.8703000     -6.4499997E-02
 N   -1.835100       6.285000      0.1273000    
 N   -4.977700      -4.390800      0.1308000    
 N    6.614400      -1.611000      0.2132000    
 C   -1.216700       2.145700     -0.3266000    
 C   -1.375000      -2.258300     -0.2338000    
 C    2.716700     -0.1600000     -0.3868000    
 C  -0.1406000       2.984000     -3.4699999E-02
 C   -2.437100      -1.703100      0.4723000    
 C    2.905500      -1.445000      0.1117000    
 C   -2.497600       2.679200     -0.4688000    
 C   -1.496200      -3.513700     -0.8210000    
 C    3.807700      0.6483000     -0.6889000    
 C   -1.626400       4.889000     -2.7300000E-02
 C   -3.760800      -3.669600      6.2000002E-03
 C    5.297300      -1.121200      8.9999996E-03
 C  -0.3454000       4.355600      0.1151000    
 C   -3.633300      -2.410600      0.5928000    
 C    4.199400      -1.926900      0.3101000    
 C   -2.702500       4.050800     -0.3193000    
 C   -2.692300      -4.221200     -0.7007000    
 C    5.101600      0.1664000     -0.4906000    
 H   0.8700000       2.608500      7.5599998E-02
 H   -2.394500     -0.7288000      0.9418000    
 H    2.078200      -2.103200      0.3494000    
 H   -3.339200       2.030300     -0.6956000    
 H  -0.6661000      -3.946400      -1.372200    
 H    3.658800       1.651800      -1.077600    
 H   0.5164000       4.978500      0.3410000    
 H   -4.445200      -1.949700       1.149700    
 H    4.314200      -2.935400      0.6994000    
 H   -3.714000       4.431000     -0.4366000    
 H   -2.755400      -5.199500      -1.170500    
 H    5.933100      0.8223000     -0.7357000    


%chk=000101389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101389

0 1
S 0.059843 -0.045239 2.309213
P 0.000566 -0.027006 0.275051
O -1.086894 1.049371 -0.547887
O -0.420070 -1.476490 -0.585796
O 1.432269 0.366166 -0.627242
O -0.809279 7.301890 0.789553
O -5.925290 -4.410751 0.839154
O 6.796430 -2.896077 0.608811
O -2.846789 7.154157 -0.229241
O -4.741287 -6.120346 -0.102179
O 7.641261 -0.989016 -0.318652
N -1.748968 6.633928 0.208048
N -4.863998 -4.895049 0.285799
N 6.659040 -1.727282 0.077612
C -1.188481 2.440766 -0.300682
C -1.554181 -2.277785 -0.303800
C 2.707307 -0.206955 -0.393464
C -0.172646 3.198229 0.327032
C -2.729962 -1.772567 0.297832
C 2.886530 -1.485905 0.182534
C -2.383482 3.037038 -0.764390
C -1.446964 -3.626193 -0.713965
C 3.801958 0.579399 -0.819023
C -1.554897 5.175196 0.030462
C -3.711515 -3.985082 0.081456
C 5.283971 -1.198134 -0.088143
C -0.361993 4.582179 0.496914
C -3.820185 -2.639968 0.495536
C 4.192700 -1.984784 0.339650
C -2.568284 4.420670 -0.602629
C -2.539400 -4.490050 -0.525163
C 5.106225 0.077093 -0.670496
H 0.751273 2.725414 0.672035
H -2.802308 -0.722450 0.595381
H 2.027016 -2.086710 0.493345
H -3.139731 2.413360 -1.248286
H -0.520308 -3.972112 -1.179538
H 3.615620 1.560948 -1.262801
H 0.395154 5.205761 0.978824
H -4.748004 -2.293243 0.957395
H 4.378970 -2.966806 0.781579
H -3.475467 4.920822 -0.950523
H -2.499497 -5.538129 -0.831931
H 5.980045 0.651040 -0.988584


