%chk=000001838.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001838

0 1
 O  -0.9662000     -0.8853000      0.7991000    
 O   -3.315800       1.149600      0.6930000    
 O   -1.304400       2.548200     -0.2214000    
 O   -1.819700      -3.257200     -0.3421000    
 O    1.390600       2.538500      0.1557000    
 N    1.000600      0.2774000      0.3737000    
 N    3.162100       1.159200     -0.1633000    
 N    4.991300     -0.2129000     -0.4962000    
 C   -2.580300      0.4747000     -0.3456000    
 C   -1.190900       1.143300     -0.4533000    
 C   -2.254700     -0.9624000      0.1448000    
 C  -0.4034000      0.4362000      0.6811000    
 C   -3.469400      0.5564000      -1.584900    
 C  -0.5351000       1.005000      -1.838200    
 C   -2.125100      -2.023400     -0.9566000    
 C   -3.248300      -1.494900       1.189600    
 C  -0.5145000       1.100200       2.058900    
 C    1.517500      -1.001000      0.3299000    
 C    1.829500       1.387600      0.1233000    
 C    2.799900      -1.256100      5.5500001E-02
 C    3.654200     -5.3399999E-02 -0.2050000    
 C    3.382100      -2.629700      2.0000001E-03
 H   -3.657500       1.601200      -1.858300    
 H   -3.041400      5.0400000E-02  -2.454600    
 H   -4.450500      0.1108000      -1.383400    
 H   0.3691000       1.610000      -1.946800    
 H  -0.2857000     -2.5500000E-02  -2.095500    
 H   -1.197000       1.397600      -2.618600    
 H   -1.324300      -1.806500      -1.664700    
 H   -3.059700      -2.150800      -1.510700    
 H   -3.298100     -0.8367000       2.064600    
 H   -4.254900      -1.592900      0.7704000    
 H   -2.944800      -2.464300       1.600100    
 H   6.0400002E-02  0.5343000       2.803200    
 H  -0.1475000       2.130000       2.076700    
 H   -1.544300       1.102900       2.427700    
 H   -3.388600       2.086400      0.4422000    
 H  -0.4164000       2.939400     -0.2548000    
 H   0.8803000      -1.851000      0.5336000    
 H  -0.9753000      -3.154500      0.1283000    
 H    4.181500      -2.737500      0.7421000    
 H    3.793100      -2.834500     -0.9918000    
 H    2.632400      -3.400000      0.2127000    
 H    5.580200      0.5935000     -0.6749000    
 H    5.435800      -1.123000     -0.5449000    


%chk=000001838-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001838

0 1
O -0.972725 -1.021496 0.573184
O -3.309092 1.258693 0.722226
O -1.320802 2.521891 -0.282191
O -2.018148 -3.335913 -0.532605
O 1.279491 2.519209 0.049237
N 1.075291 0.179997 0.257396
N 3.217377 1.230115 -0.111703
N 5.151438 -0.031847 -0.293356
C -2.665999 0.498621 -0.364388
C -1.207847 1.092789 -0.549945
C -2.434363 -0.973726 0.122907
C -0.397697 0.331946 0.586296
C -3.575886 0.632437 -1.598853
C -0.615012 0.863014 -1.951483
C -2.506747 -2.037758 -1.003917
C -3.316293 -1.382932 1.308519
C -0.501383 0.931793 2.001969
C 1.678954 -1.061487 0.272519
C 1.863081 1.379271 0.064282
C 3.041882 -1.224856 0.087704
C 3.789713 0.002915 -0.105601
C 3.705190 -2.584106 0.095904
H -3.624338 1.695049 -1.895301
H -3.242137 0.043580 -2.469659
H -4.595885 0.312675 -1.323594
H 0.343806 1.397013 -2.050632
H -0.443233 -0.205974 -2.167154
H -1.298664 1.276591 -2.709960
H -1.926510 -1.711953 -1.889829
H -3.554058 -2.209884 -1.301921
H -3.103017 -0.757908 2.186668
H -4.381008 -1.239062 1.051611
H -3.146809 -2.446342 1.548033
H -0.055791 0.214882 2.713479
H 0.036206 1.890458 2.069631
H -1.557933 1.094874 2.260678
H -2.907299 2.176347 0.641632
H -0.362826 2.830174 -0.132384
H 1.006787 -1.902983 0.444525
H -1.145256 -3.167038 -0.091152
H 4.464842 -2.666482 0.898464
H 4.207429 -2.803542 -0.867200
H 2.964372 -3.383515 0.265942
H 5.633859 0.856711 -0.420289
H 5.673838 -0.902940 -0.307090


