%chk=000029824.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029824

0 1
 O   -3.052300       1.486900       1.446700    
 N    1.427300      -3.159700      0.4947000    
 C   0.6312000      -1.348500     -0.2190000    
 C   0.8347000      -1.977400       1.166600    
 C   0.6665000      -2.797200     -0.7261000    
 C    1.787100     -0.4806000     -0.6989000    
 C  -0.6645000     -0.5516000     -0.4489000    
 C    1.845500      0.8158000      0.1076000    
 C   0.9017000      -4.388100       1.074100    
 C    3.022500       1.690300     -0.3256000    
 C   -1.283400      0.1169000      0.6152000    
 C   -1.239600     -0.4847000      -1.724400    
 C    3.059500       3.001400      0.4590000    
 C   -2.457900      0.8404000      0.4070000    
 C   -2.413900      0.2386000      -1.932500    
 C   -3.022900      0.9013000     -0.8669000    
 C    4.208900       3.888400      8.0000004E-03
 C   -4.250400       2.207900       1.163400    
 H    1.524600      -1.473900       1.850700    
 H  -8.8600002E-02  -2.181600       1.726500    
 H  -0.3201000      -3.270400     -0.8273000    
 H    1.213800      -2.963300      -1.660300    
 H    1.690400     -0.2534000      -1.768600    
 H    2.743600      -1.008800     -0.5904000    
 H   0.9399000       1.412900     -3.5100002E-02
 H    1.929200      0.6089000       1.179900    
 H  -0.1905000      -4.402800       1.173900    
 H    1.332200      -4.544400       2.069200    
 H    1.193700      -5.244800      0.4571000    
 H    3.962000       1.144900     -0.1746000    
 H    2.943300       1.907200      -1.398000    
 H  -0.8531000      9.1499999E-02   1.613100    
 H  -0.7757000     -0.9941000      -2.565100    
 H    2.116100       3.543600      0.3253000    
 H    3.164300       2.791600       1.529800    
 H   -2.852800      0.2857000      -2.924900    
 H   -3.932600       1.444600      -1.098900    
 H    5.171500       3.388600      0.1564000    
 H    4.217400       4.819500      0.5830000    
 H    4.114300       4.144600      -1.052100    
 H   -5.050900       1.541100      0.8254000    
 H   -4.069700       3.028800      0.4612000    
 H   -4.585900       2.659100       2.102900    


%chk=000029824-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029824

0 1
O -3.301015 1.372903 1.471828
N 1.308408 -3.141724 0.529891
C 0.537968 -1.256462 -0.185938
C 0.768118 -1.919689 1.224413
C 0.654082 -2.722770 -0.758954
C 1.751029 -0.389224 -0.634072
C -0.782871 -0.543987 -0.434918
C 1.905244 0.954010 0.112878
C 0.990088 -4.462658 1.084207
C 3.166637 1.732156 -0.324908
C -1.487538 0.094929 0.606744
C -1.311434 -0.484302 -1.755539
C 3.331405 3.084141 0.406512
C -2.699845 0.781385 0.345683
C -2.517096 0.197219 -2.009834
C -3.227648 0.838071 -0.966429
C 4.595949 3.855109 -0.029449
C -4.561485 2.089500 1.265377
H 1.481843 -1.433354 1.913145
H -0.192004 -2.111482 1.756766
H -0.347780 -3.184358 -0.916543
H 1.278701 -2.869110 -1.659524
H 1.657739 -0.188937 -1.721802
H 2.665454 -0.999733 -0.494106
H 1.008215 1.581650 -0.056560
H 1.955906 0.769569 1.206359
H -0.107947 -4.635107 1.220699
H 1.480387 -4.580708 2.067757
H 1.380898 -5.250831 0.415083
H 4.066666 1.106963 -0.146586
H 3.126156 1.912495 -1.419894
H -1.117723 0.078175 1.637223
H -0.778543 -0.977760 -2.576696
H 2.433099 3.708135 0.222707
H 3.364861 2.903911 1.500555
H -2.918515 0.233503 -3.029140
H -4.163937 1.359755 -1.184389
H 5.508820 3.262148 0.169177
H 4.692496 4.815588 0.509667
H 4.570802 4.076768 -1.113263
H -5.350269 1.415001 0.878435
H -4.431981 2.943418 0.571896
H -4.846940 2.460891 2.260645


