%chk=000131582.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131582

0 1
 S    1.128200       1.582100     -0.8996000    
 O   8.4799998E-02   1.077100      0.2576000    
 O   -5.896500      0.5677000      0.3044000    
 O  -0.9063000      -1.319300      2.6100000E-02
 O    1.398100       2.995100     -0.7165000    
 O   0.6819000       1.048500      -2.173100    
 N   -5.562700      -2.127300      9.2000002E-03
 C   -5.420400      -3.491000      0.5147000    
 C   -5.524200      -3.228700     -0.9504000    
 C   -4.468900      -1.312800      7.7600002E-02
 C    6.290200      -1.231800      0.4273000    
 C   -4.747200      0.1438000      0.2389000    
 C   -3.203600      -1.745200      1.1500000E-02
 C    5.012400     -0.5362000      9.9699996E-02
 C   -3.600700       1.071700      0.3181000    
 C   -2.291800      0.5944000      0.2466000    
 C    7.131700      -1.504000     -0.8581000    
 C    6.025900      -2.606600       1.116100    
 C    7.246700     -0.4588000       1.394900    
 C   -2.034500     -0.8465000      9.0400003E-02
 C   -1.214500       1.484700      0.3231000    
 C    4.088600      -1.139600     -0.7536000    
 C    4.741600      0.7185000      0.6456000    
 C    2.641300      0.7565000     -0.5102000    
 C   -3.833000       2.444500      0.4673000    
 C    2.894000     -0.4883000      -1.060900    
 C    3.546900       1.369800      0.3384000    
 C   -1.450700       2.851400      0.4714000    
 C   -2.757300       3.330400      0.5435000    
 H   -6.305500      -3.837600       1.032100    
 H   -4.482000      -3.788900      0.9548000    
 H   -4.650700      -3.315000      -1.579100    
 H   -6.477000      -3.396100      -1.433500    
 H   -2.935800      -2.789100     -0.1184000    
 H    8.084100      -1.989900     -0.6158000    
 H    6.604900      -2.158600      -1.561100    
 H    7.355300     -0.5674000      -1.382500    
 H    5.470500      -3.290600      0.4650000    
 H    6.964600      -3.105700       1.383400    
 H    5.440800      -2.475800       2.034100    
 H    8.161500      -1.032500       1.587500    
 H    7.555800      0.5035000      0.9703000    
 H    6.773200     -0.2759000       2.366600    
 H    4.273100      -2.116400      -1.191400    
 H    5.422800       1.231700       1.315300    
 H   -4.841900       2.843700      0.5276000    
 H    2.184300     -0.9788000      -1.719900    
 H    3.351600       2.341400      0.7815000    
 H  -0.6375000       3.563300      0.5662000    
 H   -2.939400       4.394200      0.6666000    


%chk=000131582-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131582

0 1
S 1.093817 1.719201 -0.903468
O 0.155060 1.532223 0.871683
O -5.769531 0.078415 0.118711
O -0.417377 -1.172819 0.325949
O 1.441201 3.287789 -1.141230
O 0.190757 0.943265 -2.003206
N -4.973649 -2.553977 -0.239530
C -5.006738 -3.692062 -1.180010
C -6.125242 -2.631465 -1.155905
C -4.019217 -1.573963 -0.058040
C 6.336260 -1.294609 0.546907
C -4.527610 -0.180437 0.187711
C -2.660136 -1.835002 -0.009403
C 5.044885 -0.521302 0.194039
C -3.512837 0.875055 0.493987
C -2.110083 0.591981 0.512221
C 6.494434 -2.499513 -0.430108
C 6.229536 -1.824759 2.009675
C 7.605518 -0.411713 0.438999
C -1.646136 -0.823152 0.275905
C -1.216995 1.680102 0.794812
C 3.791281 -1.197296 0.227727
C 5.051927 0.854263 -0.157798
C 2.662589 0.810714 -0.436001
C -4.003872 2.178371 0.750560
C 2.580956 -0.546072 -0.083227
C 3.858665 1.542412 -0.471950
C -1.730482 2.987674 1.044011
C -3.113902 3.235218 1.033542
H -5.188847 -4.677580 -0.739871
H -4.299273 -3.673277 -2.019412
H -6.169398 -1.910966 -1.980055
H -7.087461 -2.869411 -0.693416
H -2.279929 -2.847608 -0.183331
H 7.408911 -3.069720 -0.181557
H 5.637765 -3.194239 -0.371002
H 6.576993 -2.152102 -1.476125
H 5.361021 -2.493992 2.142293
H 7.140286 -2.394645 2.271826
H 6.125636 -0.989094 2.725488
H 8.495758 -1.015567 0.691668
H 7.748627 -0.020383 -0.585284
H 7.574362 0.442775 1.140111
H 3.748498 -2.253932 0.511946
H 5.992686 1.409468 -0.191446
H -5.086571 2.334556 0.717760
H 1.611901 -1.051642 -0.022810
H 3.858484 2.603961 -0.738062
H -1.004727 3.782524 1.242756
H -3.495101 4.241930 1.231260


