%chk=000133563.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133563

0 1
 S    4.888700      -1.085600     -0.6007000    
 S   -4.844700      -2.839400     -7.8999996E-03
 O    2.674800     -0.2822000       1.632200    
 O    4.480100      0.3534000      -1.266800    
 O    5.432300      -1.910100      -1.676100    
 O    5.721100     -0.7946000      0.5629000    
 O  -0.6295000       1.590700      0.2217000    
 O  -0.5619000     -0.8619000       2.118100    
 O   0.7845000       4.857800     -0.1239000    
 O    1.620200       2.883900      0.5999000    
 N    3.425700      -1.740800     -8.6499996E-02
 N   0.1539000      -1.453400     -3.6200002E-02
 N   -1.871600       1.003000     -5.5300001E-02
 N   -4.211400     -0.3804000     -0.4923000    
 N   -6.414700     -0.9895000      -1.096400    
 C    1.391600      -2.134100      0.3286000    
 C    2.347500      -2.400600     -0.8539000    
 C    2.521600      -1.189300      0.8478000    
 C  -0.6844000     -0.8930000      0.9042000    
 C   -1.899800     -0.2494000      0.2884000    
 C  -0.6852000       2.950000     -0.1821000    
 C   -3.135700      -1.007800      6.9300003E-02
 C   -1.781900       3.638200      0.6251000    
 C  -0.9594000       2.986400      -1.682600    
 C   0.6850000       3.530400      0.1426000    
 C   -3.262000      -2.322400      0.4034000    
 C   -5.184900      -1.259000     -0.5837000    
 H    1.221700      -2.998200      0.9800000    
 H    2.116800      -1.875200      -1.786300    
 H    2.553800      -3.453400      -1.062600    
 H  -0.1188000      -1.385500      -1.014100    
 H    3.997100      0.9711000     -0.6690000    
 H   -1.797600       4.717500      0.4373000    
 H   -2.781900       3.255500      0.3936000    
 H   -1.624400       3.489900       1.700100    
 H  -0.2332000       2.369900      -2.225600    
 H  -0.8872000       4.007100      -2.074200    
 H   -1.955000       2.609300      -1.940400    
 H   -2.551200      -3.002300      0.8513000    
 H    1.674500       5.208700      9.3000002E-02
 H   -7.139000      -1.698200      -1.149000    
 H   -6.657100     -6.8999998E-02  -1.447900    


%chk=000133563-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133563

0 1
S 5.018322 -0.079994 0.135814
S -5.605303 -2.721281 0.277562
O 2.342770 -0.759358 2.534762
O 4.386504 0.989511 -1.202057
O 6.160473 -0.958155 -0.563192
O 5.272783 0.754353 1.483340
O -0.590433 1.046002 -0.424146
O -1.096413 -2.896183 0.669689
O 1.231098 4.130143 -0.812041
O 1.856085 1.905491 -0.656936
N 3.489757 -1.094002 0.385728
N 0.386959 -1.247451 -0.014644
N -1.964560 0.567062 -0.326327
N -4.476095 -0.366065 -0.368374
N -6.860647 -0.348411 -0.569274
C 1.576091 -1.987972 0.342505
C 2.761087 -1.877611 -0.676359
C 2.477962 -1.182429 1.385846
C -0.890138 -1.720685 0.233031
C -2.037156 -0.741405 -0.057054
C -0.553279 2.527798 -0.584208
C -3.427098 -1.246773 -0.009608
C -1.146405 3.209555 0.666748
C -1.265935 2.942481 -1.889309
C 0.960158 2.783725 -0.682892
C -3.822419 -2.530399 0.360831
C -5.656574 -0.943910 -0.282174
H 1.310162 -3.001550 0.677640
H 2.540031 -1.289429 -1.580338
H 3.262808 -2.823205 -0.929064
H 0.479609 -0.258291 -0.298042
H 3.509753 1.410773 -0.904539
H -1.065673 4.305186 0.578782
H -2.207888 2.923581 0.747565
H -0.622882 2.882494 1.581278
H -0.812572 2.447279 -2.765085
H -1.207953 4.034884 -2.023954
H -2.321348 2.632737 -1.819022
H -3.186234 -3.348580 0.683814
H 2.210757 4.299679 -0.868734
H -7.741445 -0.844749 -0.478296
H -6.856320 0.622653 -0.873269


