%chk=000132772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132772

0 1
 S   0.8759000      -1.613400      0.7709000    
 O   -2.009700       2.418500      0.1993000    
 O   -3.935200      -1.885800     -0.2374000    
 N    4.362400      0.1591000     -0.2820000    
 N   -1.694100      -1.643000      0.2332000    
 N  -0.7054000      0.4905000      0.4571000    
 C    3.453300     -0.8484000      0.2563000    
 C    5.750000     -0.2943000     -0.1804000    
 C    4.190500       1.432600      0.4180000    
 C   -4.416600      0.9048000     -0.3163000    
 C    2.012200     -0.3767000      0.1085000    
 C   -3.063600      0.3243000     -3.7700001E-02
 C    5.949700      -1.616600     -0.9015000    
 C    5.084600       2.509200     -0.1734000    
 C   -4.894800      0.4902000      -1.704300    
 C   -5.419200      0.4810000      0.7540000    
 C   -2.962300      -1.167400     -2.8200001E-02
 C  -0.6339000     -0.8000000      0.4614000    
 C   -1.943800       1.035300      0.2023000    
 H    3.684400      -1.063500       1.308500    
 H    3.533900      -1.786300     -0.3037000    
 H    6.423800      0.4149000     -0.6718000    
 H    6.074500     -0.3918000      0.8633000    
 H    3.182000       1.831600      0.2851000    
 H    4.376400       1.341300       1.495400    
 H   -4.404700       1.997600     -0.3234000    
 H    1.769800     -0.1776000     -0.9413000    
 H    1.821100      0.5208000      0.6981000    
 H    5.546000      -2.465400     -0.3408000    
 H    5.508300      -1.605600      -1.904100    
 H    7.022200      -1.808300      -1.021800    
 H    6.134000       2.384300      0.1108000    
 H    5.012900       2.542800      -1.266000    
 H    4.776200       3.491300      0.2033000    
 H   -5.170000     -0.5653000      -1.780100    
 H   -4.136000      0.7013000      -2.466500    
 H   -5.790600       1.062400      -1.973700    
 H   -5.040000      0.6974000       1.759300    
 H   -5.688700     -0.5778000      0.7119000    
 H   -6.352200       1.044000      0.6318000    
 H   -1.540500      -2.646400      0.2572000    
 H   -2.899500       2.715200      0.4400000    


%chk=000132772-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132772

0 1
S 0.950276 -2.396253 -1.503409
O -0.976790 2.043589 -0.109467
O -3.939461 -1.841478 -0.399907
N 3.927055 0.117283 0.009532
N -1.655696 -1.913497 -0.866839
N -0.227900 -0.031180 -0.726253
C 2.930974 -0.976570 0.014777
C 5.135659 -0.141172 0.831570
C 3.318680 1.460740 0.223463
C -3.823741 1.070153 0.229754
C 2.384722 -1.145850 -1.415450
C -2.630590 0.218248 -0.199635
C 6.074508 -1.192197 0.208483
C 4.094929 2.588798 -0.482198
C -4.914135 1.126209 -0.875207
C -4.413986 0.584123 1.582240
C -2.845838 -1.198871 -0.473513
C -0.417564 -1.317782 -0.977232
C -1.325741 0.715053 -0.343077
H 2.086041 -0.774973 0.710603
H 3.407467 -1.917958 0.341624
H 5.686935 0.812871 0.919586
H 4.865210 -0.447144 1.873944
H 2.285898 1.431958 -0.169497
H 3.230572 1.687685 1.315160
H -3.480616 2.119294 0.390423
H 3.148050 -1.539981 -2.105031
H 1.978295 -0.197914 -1.799980
H 5.580926 -2.176181 0.105453
H 6.396952 -0.865526 -0.795528
H 6.970506 -1.333951 0.841347
H 5.134922 2.668573 -0.115663
H 4.132003 2.402279 -1.569727
H 3.601023 3.562710 -0.306545
H -5.313704 0.115094 -1.058171
H -4.505363 1.518846 -1.823872
H -5.746088 1.780966 -0.556599
H -3.649639 0.590488 2.380435
H -4.799256 -0.443351 1.474568
H -5.247404 1.240811 1.893246
H -1.787839 -2.911694 -1.062872
H -1.776952 2.564553 0.160766


