%chk=000000639.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000639

0 1
 O   -2.141300      0.1208000      0.8780000    
 O   -2.327200      -1.864900      -1.406200    
 O   -4.734300      0.9167000       1.636500    
 O    4.485800      -1.188500      0.4815000    
 N   0.1145000     -5.1199999E-02  0.1496000    
 N    1.739700       1.676000     -0.4028000    
 N    1.580700      -1.679600      0.6524000    
 N    4.037900      0.9841000     -0.1988000    
 C   -1.171100      0.6212000     -5.6499999E-02
 C   -1.738400      0.4467000      -1.462700    
 C   -2.859500     -0.5504000      -1.275300    
 C   -3.309700     -0.3139000      0.1583000    
 C   -4.369900      0.7743000      0.2733000    
 C    1.360600      0.4539000     -1.6899999E-02
 C   0.3021000      -1.354900      0.5579000    
 C    2.245200     -0.5416000      0.2908000    
 C    3.677800     -0.3090000      0.2096000    
 C    3.107300       1.860300     -0.4687000    
 H   -1.006100       1.680300      0.1709000    
 H  -0.9880000      0.1345000      -2.196100    
 H   -2.158000       1.404600      -1.793200    
 H   -3.657400     -0.4392000      -2.015300    
 H   -3.659700      -1.231100      0.6446000    
 H   -5.263500      0.5099000     -0.3005000    
 H   -3.992700       1.742700     -7.0799999E-02
 H  -0.5241000      -2.018900      0.7727000    
 H   -3.050900      -2.490500      -1.231600    
 H    1.095000       2.423600     -0.6375000    
 H   -5.413500       1.611100       1.680300    
 H    3.381500       2.877500     -0.7903000    


%chk=000000639-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000639

0 1
O -1.702191 1.152049 -0.847750
O -3.572578 -1.949778 -0.279225
O -2.409183 1.998009 1.738090
O 4.367269 -0.411142 0.908801
N 0.223987 -0.196317 -1.281806
N 0.619836 1.387305 0.645531
N 2.261931 -1.247836 -1.223379
N 2.788032 1.156415 1.700660
C -1.101983 0.227776 -1.809030
C -2.103924 -0.954572 -1.954487
C -3.211515 -0.676009 -0.896430
C -2.515939 0.311352 0.073506
C -3.365615 1.265681 0.889683
C 0.960982 0.389723 -0.250937
C 1.076788 -1.182048 -1.839869
C 2.211579 -0.266802 -0.213008
C 3.224182 0.100639 0.792783
C 1.596581 1.705416 1.597858
H -0.954299 0.802179 -2.738812
H -1.630632 -1.917609 -1.700155
H -2.516317 -1.019162 -2.972959
H -4.091458 -0.187327 -1.365305
H -1.850615 -0.263820 0.750906
H -4.087959 0.692527 1.509515
H -3.916050 1.954534 0.216725
H 0.770405 -1.796883 -2.683368
H -4.416241 -1.858553 0.230367
H -0.310706 1.824310 0.646786
H -2.880842 2.674232 2.284332
H 1.299273 2.490215 2.304175


