%chk=000015935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015935

0 1
 S  -0.5286000      -2.563700     -0.5501000    
 O  -0.8300000      -2.395600      -1.958900    
 O  -0.2855000      -3.887100     -8.8000000E-03
 O    4.208300       2.414000     -0.9359000    
 N   -3.866700       1.268100      0.2488000    
 N   -1.730900      -1.801500      0.3789000    
 N    4.246200      0.7218000      0.7053000    
 C   -3.527000     -0.1399000      0.4516000    
 C   -2.056700     -0.3782000      0.1402000    
 C   -3.595900       1.665400      -1.132300    
 C   -5.269600       1.508700      0.5843000    
 C   0.8949000      -1.584600     -0.1764000    
 C   -3.885500       3.141500      -1.345700    
 C   -5.569300       1.101400       2.016900    
 C    1.182400     -0.4826000     -0.9628000    
 C    1.695000      -1.938300      0.8959000    
 C    3.123400     -5.1500000E-02  0.4096000    
 C    2.305600      0.2900000     -0.6674000    
 C    2.818100      -1.165600       1.191400    
 C    4.708500       1.865700      4.0800001E-02
 C    5.963400       2.411800      0.6745000    
 H   -3.671200     -0.4395000       1.495300    
 H   -4.154800     -0.7986000     -0.1636000    
 H   -1.417500      0.2421000      0.7777000    
 H   -1.827000     -0.1758000     -0.9070000    
 H   -2.535100       1.569000      -1.376300    
 H   -4.162400       1.064600      -1.854700    
 H   -5.501800       2.577200      0.5261000    
 H   -5.950800      0.9839000     -9.7400002E-02
 H   -1.900000      -2.143200       1.333200    
 H   -4.957800       3.355200      -1.391900    
 H   -3.431700       3.762100     -0.5652000    
 H   -3.463300       3.464100      -2.304400    
 H   -5.643500      1.6200000E-02   2.137900    
 H   -4.821900       1.490400       2.716900    
 H   -6.539800       1.512400       2.317700    
 H   0.5566000     -0.1997000      -1.803500    
 H    1.470200      -2.796600       1.521400    
 H    2.476600       1.137100      -1.316900    
 H    3.445500      -1.442100       2.035000    
 H    4.791300      0.4076000       1.505500    
 H    5.756700       2.709200       1.706400    
 H    6.311200       3.284900      0.1155000    
 H    6.747100       1.649100      0.6636000    


%chk=000015935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015935

0 1
S -0.424162 -2.298763 -0.966857
O -0.760202 -1.751661 -2.459843
O -0.202305 -3.865347 -0.593598
O 4.580294 2.628153 -0.208304
N -4.373617 1.039299 -0.001718
N -1.856205 -1.774147 0.053436
N 4.591977 0.593301 0.964926
C -3.851882 -0.327189 0.220650
C -2.338579 -0.389052 -0.117799
C -4.788663 1.280860 -1.410652
C -5.379044 1.475945 1.001068
C 1.124200 -1.377774 -0.381902
C -4.663693 2.758060 -1.830306
C -4.754014 1.820662 2.366490
C 1.415672 -0.119371 -0.932869
C 1.943905 -2.001830 0.574787
C 3.412071 -0.031262 0.480368
C 2.568186 0.567054 -0.497804
C 3.095143 -1.317533 1.004358
C 5.123393 1.845075 0.622283
C 6.428814 2.195351 1.330943
H -3.995035 -0.602219 1.282321
H -4.376814 -1.099132 -0.386012
H -1.796611 0.355393 0.501455
H -2.199192 -0.123097 -1.181644
H -4.136906 0.671903 -2.064516
H -5.832981 0.921961 -1.590687
H -5.874876 2.380666 0.604826
H -6.183460 0.709168 1.136052
H -1.713191 -2.112245 1.017617
H -5.310562 3.416208 -1.222090
H -3.621475 3.100737 -1.708867
H -4.958577 2.884641 -2.888749
H -4.244620 0.949007 2.817273
H -4.009624 2.627559 2.250690
H -5.533928 2.154391 3.076373
H 0.771567 0.306156 -1.709182
H 1.701181 -3.004041 0.942405
H 2.829697 1.545945 -0.902301
H 3.756065 -1.786867 1.743756
H 5.123729 0.053293 1.651191
H 6.314372 3.174910 1.825027
H 7.227940 2.303164 0.576910
H 6.748712 1.452070 2.081697


