%chk=000169132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169132

0 1
 O    4.559300       1.882300      0.5195000    
 O   -5.285400       1.075900     -0.4682000    
 N    2.852700       1.045000     -0.8589000    
 N   -3.178900      0.3115000      0.2562000    
 C  -0.7544000      0.3454000      0.2251000    
 C   0.5834000      -1.928700     -4.0800001E-02
 C  -0.7579000      -1.157800     -0.1587000    
 C   0.4643000       1.059300     -0.3964000    
 C    1.736800      -1.103500     -0.6490000    
 C    1.786200      0.3363000     -0.1382000    
 C   -2.041200      0.9887000     -0.3411000    
 C  -0.7892000      0.5564000       1.749900    
 C   0.9029000      -2.320800       1.413500    
 C   0.4508000      -3.247600     -0.8369000    
 C    3.702400       1.461200     -0.1676000    
 C   -4.231700      0.6964000     -0.1084000    
 H   -1.075900      -1.224100      -1.210000    
 H   -1.527200      -1.695400      0.4119000    
 H   0.5281000       2.089900     -2.2299999E-02
 H   0.3197000       1.147400      -1.482700    
 H    1.631300      -1.083800      -1.743300    
 H    2.697900      -1.598100     -0.4542000    
 H    1.983700      0.3241000      0.9422000    
 H   -2.061600      0.8929000      -1.436100    
 H   -2.059300       2.063400     -0.1095000    
 H   -1.043700       1.594100       1.997800    
 H   -1.526300     -9.0999998E-02   2.237500    
 H   0.1736000      0.3640000       2.225500    
 H    1.764700      -2.997700       1.454300    
 H    1.153100      -1.467000       2.043100    
 H   5.6499999E-02  -2.840700       1.876200    
 H  -0.3566000      -3.871000     -0.4360000    
 H   0.2302000      -3.056600      -1.893200    
 H    1.377600      -3.831200     -0.7954000    


%chk=000169132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169132

0 1
O 5.313818 1.434580 -0.767667
O -5.681344 0.229627 -0.150999
N 2.921453 1.177205 -0.379719
N -3.264759 0.502183 -0.032562
C -0.786989 0.397993 0.264600
C 0.582256 -1.886661 -0.009137
C -0.747206 -1.089311 -0.212230
C 0.481096 1.146637 -0.235037
C 1.782018 -1.023994 -0.500590
C 1.787272 0.398986 0.111945
C -2.003006 1.098642 -0.419164
C -0.960134 0.548187 1.799477
C 0.800814 -2.345727 1.460338
C 0.504816 -3.165380 -0.889089
C 4.129494 1.234798 -0.541200
C -4.473308 0.416192 -0.141041
H -0.952881 -1.086203 -1.304331
H -1.582688 -1.643339 0.257584
H 0.519299 2.165931 0.194810
H 0.446617 1.260288 -1.338341
H 1.735699 -0.918451 -1.603529
H 2.734341 -1.536505 -0.260214
H 1.885338 0.324006 1.213578
H -1.888828 1.038206 -1.520813
H -2.005675 2.172532 -0.140019
H -1.083109 1.614210 2.071331
H -1.859726 0.006672 2.141115
H -0.098706 0.160693 2.365497
H 1.660076 -3.040416 1.516338
H 1.006297 -1.512325 2.152714
H -0.090479 -2.880387 1.838020
H -0.338414 -3.809034 -0.575044
H 0.358581 -2.910596 -1.955588
H 1.433866 -3.760038 -0.805235


