%chk=000128232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128232

0 1
 S    2.766100       2.568400      0.8762000    
 O   -3.371300      -1.706300      0.6773000    
 O   -2.345700       2.822600      0.3334000    
 N   -1.847000     -0.9993000     -0.9266000    
 N   0.7593000      -1.902500      0.7929000    
 N   -2.877700      0.5613000      0.5413000    
 N   0.8475000      6.0600001E-02   1.826200    
 N    2.843100      -1.806100     -0.4682000    
 N    3.860500      0.3992000     -0.3113000    
 C  -0.2606000      -2.972900      -1.216500    
 C   -1.650800      -2.359300      -1.446900    
 C   0.1710000      -3.111500      0.2516000    
 C   -1.267400       1.320800      -1.132200    
 C  -0.4907000       2.442400      -1.783400    
 C   -1.165800      4.2900000E-02  -1.519300    
 C   0.9656000       2.547500      -1.301300    
 C   -2.745700     -0.7903000      0.1339000    
 C   -2.206600       1.653600     -2.4300000E-02
 C    1.927500      -1.317800      0.3844000    
 C    1.098900       2.912200      0.1836000    
 C    1.910600     -5.6800000E-02  0.9617000    
 C   0.1987000      -1.080000       1.729700    
 C    2.891100      0.8388000      0.5295000    
 C   -3.797700      0.8150000       1.645700    
 C    3.787400     -0.8824000     -0.7373000    
 H  -0.2852000      -3.981300      -1.649700    
 H   0.4862000      -2.415000      -1.792400    
 H   -2.402000      -3.030600      -1.015300    
 H   -1.856800      -2.329100      -2.524700    
 H  -0.6709000      -3.406300      0.8873000    
 H   0.9402000      -3.887900      0.3405000    
 H  -0.9960000       3.405000      -1.642500    
 H  -0.4818000       2.278100      -2.869300    
 H  -0.5047000     -0.2313000      -2.335400    
 H    1.459600       1.598900      -1.535500    
 H    1.477500       3.312400      -1.899200    
 H   0.9021000       3.982200      0.3122000    
 H   0.3695000       2.387700      0.8031000    
 H  -0.6999000      -1.339000       2.272500    
 H   -4.796400      0.4719000       1.356900    
 H   -3.472400      0.2342000       2.514800    
 H   -3.843500       1.872400       1.916100    
 H    4.584500      -1.202300      -1.399600    


%chk=000128232-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128232

0 1
S 2.958539 2.645065 0.660532
O -3.192851 -1.803191 0.735428
O -2.476987 2.822032 0.432390
N -1.797797 -0.990057 -0.973123
N 0.688788 -1.912161 0.797763
N -2.870905 0.509651 0.541826
N 0.740032 0.213444 1.677616
N 2.854245 -1.897839 -0.407910
N 3.977958 0.277172 -0.257884
C -0.281321 -3.065748 -1.203405
C -1.633638 -2.373203 -1.503593
C 0.120723 -3.177753 0.291432
C -1.310370 1.394552 -1.138787
C -0.571374 2.568170 -1.756633
C -1.152885 0.095710 -1.566519
C 0.927253 2.660905 -1.334318
C -2.657673 -0.818412 0.139634
C -2.229917 1.666278 -0.024193
C 1.875931 -1.329013 0.345203
C 1.139182 2.982760 0.158590
C 1.876852 0.007377 0.868838
C 0.071196 -0.951043 1.610238
C 2.943300 0.837870 0.433842
C -3.791517 0.708243 1.685136
C 3.905725 -1.044052 -0.610099
H -0.365484 -4.092603 -1.609780
H 0.549704 -2.587280 -1.753675
H -2.456535 -2.959622 -1.062630
H -1.783286 -2.333924 -2.598768
H -0.748759 -3.439488 0.919098
H 0.888730 -3.962638 0.401552
H -1.099190 3.493890 -1.465671
H -0.608266 2.497971 -2.860911
H -0.496747 -0.154828 -2.406262
H 1.420401 1.699820 -1.577908
H 1.428352 3.431565 -1.950256
H 0.989465 4.052430 0.380945
H 0.503426 2.386850 0.829000
H -0.857072 -1.165492 2.136458
H -4.731100 0.163707 1.503720
H -3.338797 0.324648 2.615636
H -3.968339 1.789222 1.777287
H 4.771308 -1.450888 -1.139936


