%chk=000033263.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033263

0 1
 O   0.1877000       2.280700     -0.3703000    
 N    1.633600     -7.8699999E-02  1.0400000E-02
 N    2.319400      -1.214800      0.1937000    
 N    2.312500       1.061300     -0.1741000    
 C   -2.648600       2.330400     -0.3763000    
 C   -2.547100      -2.596900      0.4091000    
 C   -1.862800       1.076300     -0.1770000    
 C   -1.800100      -1.267300      0.1969000    
 C   -2.377400       3.407600      0.7436000    
 C   -3.482400      -2.919400     -0.7970000    
 C   -2.540600     -0.1276000      1.4900000E-02
 C   -4.180400       2.015200     -0.3255000    
 C   -2.436600       3.043400      -1.755600    
 C   -3.427000      -2.465600       1.677600    
 C   -1.612500      -3.806700      0.6518000    
 C  -0.4681000       1.098800     -0.1801000    
 C  -0.4289000      -1.286700      0.2005000    
 C   0.2488000     -8.2599998E-02  8.7000001E-03
 C   -2.770000       2.969200       2.151600    
 C   -2.786800      -3.019000      -2.151700    
 C    3.594600     -0.7987000      0.1260000    
 C    3.590300      0.6526000     -0.1082000    
 C    4.787700      -1.535600      0.2447000    
 C    4.779000       1.396300     -0.2285000    
 C    5.959800     -0.7673000      0.1205000    
 C    5.955800      0.6350000     -0.1058000    
 H   -1.340100       3.744300      0.7893000    
 H   -2.956300       4.312200      0.5106000    
 H   -3.999100      -3.870100     -0.6088000    
 H   -4.277000      -2.167600     -0.8810000    
 H   -3.616300     -0.2149000      1.4500000E-02
 H   -4.511300       1.551900      0.6102000    
 H   -4.494100       1.382500      -1.165800    
 H   -4.760800       2.943100     -0.4176000    
 H   -3.178400       3.839200      -1.897400    
 H   -2.572600       2.323900      -2.572400    
 H   -1.465600       3.514300      -1.909100    
 H   -4.213900      -1.711000       1.571300    
 H   -2.823800      -2.190600       2.551300    
 H   -3.928800      -3.413300       1.907000    
 H   -2.198300      -4.723400      0.7949000    
 H   -1.007800      -3.680000       1.558100    
 H  -0.9374000      -3.998100     -0.1890000    
 H   0.1352000      -2.197600      0.3462000    
 H   -2.472900       3.740100       2.871100    
 H   -2.271600       2.040000       2.442300    
 H   -3.850300       2.839200       2.256900    
 H   -3.524400      -3.245500      -2.928900    
 H   -2.041300      -3.818700      -2.165900    
 H   -2.296800      -2.081100      -2.428100    
 H  -0.3754000       3.020900     -0.6005000    
 H    4.812900      -2.604000      0.4172000    
 H    4.797700       2.464800     -0.4010000    
 H    6.921500      -1.272400      0.2019000    
 H    6.914400       1.145600     -0.1884000    


%chk=000033263-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033263

0 1
O 0.196243 2.315565 -0.550567
N 1.647126 0.015946 0.001550
N 2.367817 -0.952905 -0.679097
N 2.365514 0.935600 0.736979
C -2.833927 2.371756 -0.495802
C -2.574207 -2.673807 0.511932
C -1.968878 1.111783 -0.214242
C -1.828022 -1.345489 0.247010
C -2.492666 3.564295 0.478454
C -3.571323 -2.980209 -0.660467
C -2.561909 -0.146214 0.042769
C -4.351065 2.076068 -0.335406
C -2.622096 2.832605 -1.975183
C -3.399694 -2.536981 1.828412
C -1.601123 -3.868211 0.685676
C -0.538356 1.164515 -0.244325
C -0.423100 -1.253939 0.218225
C 0.211380 -0.014470 -0.004611
C -2.388968 3.195866 1.973212
C -2.928754 -3.147512 -2.053913
C 3.673505 -0.615716 -0.368338
C 3.671891 0.545733 0.497042
C 4.894058 -1.227849 -0.772919
C 4.889826 1.108620 0.974274
C 6.081007 -0.660717 -0.294914
C 6.079114 0.492438 0.568737
H -1.557991 4.087789 0.176717
H -3.283971 4.327264 0.336337
H -4.127886 -3.902554 -0.395047
H -4.326607 -2.170086 -0.707126
H -3.652754 -0.201232 0.076548
H -4.611236 1.757078 0.689743
H -4.691573 1.294804 -1.038332
H -4.924526 2.993926 -0.559826
H -3.184327 3.766081 -2.167080
H -2.990693 2.059573 -2.672915
H -1.561919 3.016411 -2.228124
H -4.141899 -1.720538 1.762778
H -2.737273 -2.324263 2.687306
H -3.947762 -3.475512 2.036987
H -2.180361 -4.798139 0.834814
H -0.952518 -3.733604 1.570948
H -0.951088 -4.014254 -0.194912
H 0.215424 -2.127015 0.368586
H -2.214583 4.099532 2.585012
H -1.557045 2.494491 2.159343
H -3.317847 2.720347 2.336401
H -3.706503 -3.301693 -2.824583
H -2.250013 -4.018231 -2.091048
H -2.345317 -2.252008 -2.334626
H -0.387537 3.112542 -0.561563
H 4.894317 -2.102535 -1.429819
H 4.885150 1.985742 1.627788
H 7.042824 -1.100022 -0.582131
H 7.039423 0.892936 0.912131


