%chk=000113015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113015

0 1
 S   -4.817900       1.175800      0.3339000    
 O    3.147600      5.8699999E-02  0.7670000    
 O   0.6475000       2.020000     -0.4955000    
 O    3.103700     -0.2231000      -1.530300    
 N   -1.078100      0.5341000     -6.7500003E-02
 N   -2.142400       1.371700     -4.4799998E-02
 N  -0.7824000      -1.779900      0.2049000    
 N   -2.914900     -0.7236000      0.3394000    
 C    1.119700     -0.3172000     -0.2370000    
 C   -1.542700     -0.7386000      0.1638000    
 C   0.2240000      0.8904000     -0.2851000    
 C   0.5731000      -1.539700     -3.3000000E-03
 C   -3.208200      0.5511000      0.2055000    
 C    1.400000      -2.800600      5.1700000E-02
 C    2.569200     -0.1592000     -0.4386000    
 C    4.567800      0.2342000      0.7359000    
 C    4.879100       1.704700      0.5558000    
 C   -5.745300     -0.2588000     -0.2559000    
 H   -2.091800       2.371700     -0.1777000    
 H    1.047000      -3.510700     -0.7042000    
 H    1.297000      -3.270500       1.036000    
 H    2.467200      -2.643300     -0.1242000    
 H    4.958200     -0.1131000       1.698100    
 H    5.037600     -0.3763000     -4.3600000E-02
 H    5.958300       1.879600      0.5849000    
 H    4.491400       2.074100     -0.3992000    
 H    4.404300       2.299600       1.343200    
 H   -5.640300      -1.099000      0.4358000    
 H   -5.401100     -0.5581000      -1.249800    
 H   -6.805100      1.9000000E-03 -0.3209000    


%chk=000113015-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113015

0 1
S -4.813149 1.386921 0.132816
O 3.085630 0.450802 1.007521
O 0.725295 1.928568 0.239249
O 3.442391 -1.076588 -0.718472
N -1.007555 0.392823 0.075749
N -2.034532 1.323541 0.174323
N -0.841768 -1.970325 -0.250011
N -2.980100 -0.723328 -0.113146
C 1.165855 -0.522623 -0.004722
C -1.589357 -0.867972 -0.107278
C 0.396275 0.710043 0.129916
C 0.530705 -1.787488 -0.206193
C -3.209265 0.596785 0.056613
C 1.326667 -3.061756 -0.373330
C 2.654982 -0.429721 0.020242
C 4.549675 0.751803 1.046875
C 4.887868 1.869643 0.056138
C -5.881444 -0.153746 -0.087746
H -1.804349 2.312300 0.296177
H 1.901180 -3.040380 -1.315450
H 0.630251 -3.912863 -0.379400
H 2.068981 -3.191492 0.433973
H 4.717780 1.058874 2.091316
H 5.109766 -0.173604 0.823809
H 5.947340 2.164930 0.172906
H 4.735826 1.532011 -0.982754
H 4.253038 2.753012 0.238497
H -5.683987 -0.851837 0.736189
H -5.642617 -0.624292 -1.050384
H -6.918882 0.211857 -0.065122


