%chk=000001764.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001764

0 1
 S   -1.320000      -4.108400      -1.326500    
 P    4.188700     -0.4529000      0.1127000    
 P    2.021800      -2.428600     -0.1000000    
 P  -0.7925000      -3.225500      0.3187000    
 O    1.290400       1.559300      0.7045000    
 O   0.9466000       2.399400      -2.450300    
 O   0.7853000       4.521700      0.4249000    
 O    4.067900       1.098000      0.5603000    
 O    2.653700     -0.9567000      0.1128000    
 O    4.812000      -1.177100       1.417700    
 O    4.938400     -0.6948000      -1.164700    
 O   -5.338300      0.5522000       1.446100    
 O   0.4532000      -2.200500      0.2063000    
 O    2.547500      -3.245000       1.192900    
 O    2.338400      -3.061600      -1.422700    
 O   -1.948900      -2.325400       1.011100    
 O  -0.3651000      -4.215800       1.528000    
 N   -1.045700       1.433300      0.3355000    
 N   -2.323800      8.2999997E-02  -1.232600    
 N   -2.667900       1.732600       1.857800    
 N   -4.591500     -0.3337000     -0.5613000    
 N   -3.715000      -1.179400      -2.579200    
 C   0.4251000       2.775700      -1.179300    
 C    1.453600       3.616200     -0.4502000    
 C   0.2674000       1.531200     -0.3054000    
 C    2.219800       2.612700      0.4008000    
 C    3.420100       2.004700     -0.3145000    
 C   -2.147600      0.7879000     -0.1120000    
 C   -1.411200       1.993300       1.539400    
 C   -3.128100      0.9744000      0.8181000    
 C   -4.443500      0.3980000      0.6236000    
 C   -3.590900     -0.4682000      -1.412500    
 H  -0.5166000       3.308400      -1.349900    
 H    2.099900       4.198800      -1.114300    
 H   0.4049000      0.6061000     -0.8767000    
 H    2.540300       3.035300       1.359800    
 H    4.140100       2.783000     -0.5858000    
 H    3.121600       1.483700      -1.230000    
 H   0.2862000       1.827000      -2.877100    
 H    1.467800       5.029100      0.8966000    
 H  -0.7272000       2.580600       2.137000    
 H   -1.597900     -5.6499999E-02  -1.927900    
 H    5.044600      -2.128600       1.365900    
 H   -2.938600      -1.277600      -3.224200    
 H   -4.588400      -1.630800      -2.828200    
 H    2.353800      -4.204300       1.259000    
 H   -1.746800      -1.860400       1.850900    
 H  -0.1029000      -3.824900       2.388500    


%chk=000001764-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001764

0 1
S 0.275610 -5.777206 -0.938539
P 3.802088 -0.862686 0.458854
P 1.150829 -2.183707 -0.841049
P -0.461210 -4.561045 0.617617
O 0.915141 1.796166 0.493216
O 1.799344 3.016035 -2.451968
O 0.978403 4.828401 0.550101
O 3.657828 0.752651 0.988119
O 2.255510 -1.018661 -0.309272
O 3.616552 -1.636550 1.967120
O 5.043912 -1.282220 -0.424314
O -5.364755 0.923811 1.339837
O 0.479842 -2.909588 0.522276
O 2.102435 -3.306350 -1.657181
O 0.070198 -1.401239 -1.738779
O -2.008882 -4.153938 0.783384
O 0.200083 -5.021442 2.135060
N -1.213863 2.283903 -0.418653
N -1.931185 -0.056312 -0.814294
N -3.043237 3.024417 0.752747
N -3.984346 -0.600007 0.207603
N -2.716437 -2.267251 -0.943326
C 0.907365 3.394051 -1.357538
C 1.816023 3.899739 -0.216715
C 0.207017 2.132580 -0.755911
C 2.146693 2.610484 0.580521
C 3.363840 1.851332 0.030604
C -2.107922 1.226425 -0.341009
C -1.834626 3.354252 0.285881
C -3.227543 1.678055 0.379022
C -4.295033 0.750763 0.715369
C -2.885314 -0.992486 -0.513173
H 0.186819 4.177243 -1.655182
H 2.709906 4.404732 -0.626610
H 0.309251 1.287348 -1.464061
H 2.304682 2.802350 1.657234
H 4.258219 2.500294 0.020926
H 3.172894 1.472951 -0.988114
H 1.285125 2.839426 -3.278713
H 1.440825 5.105715 1.379715
H -1.317614 4.298986 0.436247
H -1.014400 -0.456136 -1.221531
H 4.206594 -2.424714 2.088855
H -1.929771 -2.397598 -1.594648
H -2.818628 -3.084359 -0.283067
H 1.707813 -4.256800 -1.610910
H -4.716659 -1.295136 0.389038
H -0.258715 -4.597778 2.908811


