%chk=000046099.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046099

0 1
 O    1.353400      0.4582000     -0.9280000    
 O    2.111000       1.201800       1.140600    
 N   -1.040600      -2.527800     -0.2906000    
 N    3.589300      0.3486000     -0.4307000    
 C  -0.2369000      -1.514000      0.3913000    
 C  -0.7381000     -0.1152000      9.2200004E-02
 C  -0.2130000      -1.798300       1.894900    
 C   8.6499996E-02  0.7896000     -0.5523000    
 C   -2.024500      0.2210000      0.4761000    
 C   -2.501300       1.503800      0.2065000    
 C  -0.5383000      -3.867400      1.3000000E-02
 C   -1.038000      -2.296100      -1.734500    
 C  -0.3906000       2.072400     -0.8220000    
 C   -1.684400       2.429500     -0.4424000    
 C   -3.884400       1.886900      0.6120000    
 C    2.344500      0.7151000      3.8199998E-02
 C    4.805300      0.4921000      0.3356000    
 H   0.8024000      -1.612500      5.3100001E-02
 H   0.2258000     -0.9519000       2.437900    
 H   0.4020000      -2.669500       2.144900    
 H   -1.216500      -1.956500       2.307300    
 H   -2.666600     -0.4958000      0.9806000    
 H  -0.7415000      -4.158300       1.048400    
 H   0.5342000      -3.971400     -0.1887000    
 H   -1.061700      -4.616400     -0.5940000    
 H   -1.590700      -3.092800      -2.247100    
 H  -2.3800001E-02  -2.275500      -2.150900    
 H   -1.552300      -1.370600      -2.012600    
 H   0.2404000       2.798800      -1.327100    
 H   -2.043300       3.432700     -0.6565000    
 H   -3.883500       2.264900       1.639200    
 H   -4.290500       2.662800     -4.5899998E-02
 H   -4.563500       1.029600      0.5529000    
 H    3.653700     -4.5200001E-02  -1.364300    
 H    5.249200     -0.4987000      0.4590000    
 H    4.609900      0.9355000       1.314700    
 H    5.491400       1.127500     -0.2295000    


%chk=000046099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046099

0 1
O 1.485328 0.724782 -0.831552
O 2.281787 0.840014 1.408130
N -1.074279 -2.530478 -0.255938
N 3.704823 0.512882 -0.438797
C -0.141400 -1.506472 0.311908
C -0.686453 -0.099639 0.042144
C 0.057541 -1.680798 1.838984
C 0.123704 0.956652 -0.435588
C -2.046652 0.193680 0.309308
C -2.597519 1.483410 0.119948
C -0.767290 -3.917520 0.151917
C -1.166485 -2.426748 -1.730457
C -0.392131 2.250468 -0.643405
C -1.749063 2.512812 -0.365525
C -4.054687 1.763784 0.446645
C 2.492569 0.705215 0.180068
C 4.959861 0.439126 0.312356
H 0.862228 -1.593339 -0.177170
H 0.630428 -0.822383 2.227253
H 0.617539 -2.601400 2.079227
H -0.921768 -1.713487 2.350029
H -2.680729 -0.634879 0.646483
H -0.860697 -4.033913 1.243299
H 0.257576 -4.256300 -0.149921
H -1.498984 -4.596559 -0.321728
H -1.922357 -3.140748 -2.103618
H -0.196247 -2.646518 -2.244930
H -1.482145 -1.410387 -2.018799
H 0.271086 3.032358 -1.026995
H -2.151435 3.519486 -0.529511
H -4.177114 2.035339 1.513382
H -4.451575 2.602014 -0.152875
H -4.688257 0.878636 0.260684
H 3.701292 0.430926 -1.455688
H 5.454996 -0.539906 0.173899
H 4.723449 0.566323 1.380692
H 5.658058 1.240469 0.007439


