%chk=000029086.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029086

0 1
 O   -1.303400      -1.848300      -1.562500    
 N   -2.421400      -1.571500      0.4531000    
 N    4.584900      0.5779000     -6.7800000E-02
 C   -3.644200      -1.034700     -9.9699996E-02
 C   -3.931000      0.3748000      0.4410000    
 C   -2.812000       1.351100      0.1658000    
 C   -4.803500      -1.977000      0.2087000    
 C  -0.1926000      -2.462700      0.5002000    
 C   -1.342100      -1.936800     -0.3378000    
 C    1.071700      -1.658800      0.3503000    
 C   -1.791100       1.491800       1.092000    
 C   -2.826900       2.087300      -1.007900    
 C    3.401000     -0.1756000      7.3100001E-02
 C    1.987400      -2.003100     -0.6336000    
 C    1.302300     -0.5844000       1.198000    
 C    3.158200      -1.257800     -0.7730000    
 C    2.473100      0.1610000       1.058600    
 C  -0.7575000       2.393200      0.8378000    
 C   -1.793100       2.988700      -1.262000    
 C  -0.7583000       3.141600     -0.3390000    
 C    5.797800     -4.5499999E-02 -0.5588000    
 C    4.600600       1.988900      0.2634000    
 H   -3.542600     -0.9745000      -1.190400    
 H   -4.107600      0.3344000       1.524800    
 H   -4.863500      0.7590000      6.6999998E-03
 H   -2.368600      -1.677500       1.461900    
 H   -4.612000      -2.974900     -0.2009000    
 H   -5.736800      -1.605700     -0.2272000    
 H   -4.950600      -2.087200       1.288900    
 H  -1.6400000E-02  -3.502000      0.1935000    
 H  -0.4628000      -2.520400       1.561700    
 H   -1.783000      0.9183000       2.014400    
 H   -3.627000       1.973100      -1.733400    
 H    1.805400      -2.841200      -1.300500    
 H   0.5919000     -0.3234000       1.976600    
 H    3.854000      -1.538800      -1.558500    
 H    2.638100      0.9889000       1.742400    
 H   4.6200000E-02   2.515800       1.557900    
 H   -1.793200       3.571000      -2.178800    
 H   4.6700001E-02   3.843300     -0.5367000    
 H    5.773400     -0.1359000      -1.649800    
 H    5.945200      -1.038500     -0.1192000    
 H    6.680700      0.5484000     -0.2969000    
 H    3.697700       2.495400     -9.6400000E-02
 H    5.452900       2.495200     -0.2033000    
 H    4.684900       2.132400       1.345700    


%chk=000029086-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029086

0 1
O -1.517445 -3.241778 -0.765698
N -2.209037 -1.444313 0.539546
N 4.363679 0.583248 -0.419552
C -3.307034 -1.043934 -0.370432
C -3.832439 0.358852 0.040433
C -2.765255 1.445228 0.113077
C -4.446839 -2.086508 -0.368679
C -0.172198 -2.667023 1.219371
C -1.355933 -2.492694 0.249309
C 1.027949 -1.819630 0.802427
C -2.531787 2.149462 1.322078
C -1.981480 1.777933 -1.023331
C 3.272324 -0.200995 -0.019222
C 1.717737 -2.081011 -0.409261
C 1.480429 -0.734959 1.591600
C 2.812602 -1.297653 -0.817195
C 2.575609 0.061779 1.201662
C -1.544620 3.160129 1.398169
C -0.994071 2.783568 -0.951756
C -0.771381 3.479797 0.260062
C 5.057803 0.288374 -1.677077
C 4.804596 1.703535 0.416058
H -2.886913 -0.999561 -1.396136
H -4.343621 0.270880 1.019699
H -4.611194 0.637395 -0.695956
H -1.943758 -0.792952 1.282307
H -4.051576 -3.071659 -0.663994
H -5.236202 -1.794842 -1.086509
H -4.899649 -2.169205 0.636649
H 0.083962 -3.741103 1.203038
H -0.476732 -2.407586 2.250825
H -3.136550 1.913825 2.207520
H -2.142271 1.243803 -1.967936
H 1.380774 -2.906638 -1.047725
H 0.973717 -0.505824 2.538656
H 3.310508 -1.542099 -1.760037
H 2.885042 0.885343 1.851624
H -1.382916 3.695567 2.340788
H -0.395897 3.023061 -1.838143
H -0.005126 4.261225 0.314285
H 4.381885 0.370682 -2.553698
H 5.492399 -0.732798 -1.680936
H 5.882174 1.005625 -1.818066
H 4.003916 2.460971 0.550224
H 5.663896 2.201652 -0.060634
H 5.123824 1.368131 1.424962


