%chk=000040596.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040596

0 1
 O   -1.256700       1.815000      0.9218000    
 N   -1.744900      -1.367200     -0.3645000    
 N   -2.290400     -0.1818000      0.1506000    
 N    1.218100      0.6265000      0.1263000    
 N    3.885500       1.807400     -0.8543000    
 N    2.621800      -1.121900      0.9754000    
 N    5.868900      0.8455000     -0.5235000    
 N    5.044300      -1.094800      0.6870000    
 C  -0.3703000      -1.172500     -0.4789000    
 C   2.0700000E-02  1.6899999E-02  2.3000001E-03
 C   -1.237100      0.6861000      0.4571000    
 C   -3.661900      0.1585000      4.0199999E-02
 C   -2.284700      -2.640900      0.1011000    
 C   0.5171000      -2.234500      -1.036700    
 C    2.489400      4.8200000E-02  0.3162000    
 C    3.629200      0.6576000     -0.1630000    
 C   -4.190800       1.207700      0.7982000    
 C   -4.496000     -0.5522000     -0.8284000    
 C    4.876100      7.8299999E-02  3.0400001E-02
 C   -5.540300       1.543100      0.6887000    
 C   -5.845500     -0.2169000     -0.9381000    
 C   -6.367600      0.8308000     -0.1795000    
 C    5.240100       1.876400      -1.046500    
 C    3.875100      -1.615200       1.118300    
 H    1.210200       1.634000      6.3999998E-03
 H   -2.117500      -3.418200     -0.6518000    
 H   -3.356900      -2.613000      0.3098000    
 H   -1.787600      -2.948500       1.028600    
 H   0.7309000      -2.996900     -0.2812000    
 H    1.460900      -1.836300      -1.418200    
 H   2.9300001E-02  -2.725700      -1.886200    
 H   -3.587700       1.767300       1.505800    
 H   -4.121600      -1.349000      -1.464700    
 H   -5.948900       2.354700       1.283700    
 H   -6.488300     -0.7657000      -1.620300    
 H    3.203400       2.484900      -1.168200    
 H   -7.418200       1.092200     -0.2652000    
 H    5.700200       2.700300      -1.573100    
 H    3.948300      -2.557100       1.651400    


%chk=000040596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040596

0 1
O -1.026337 1.811143 0.318741
N -1.857208 -1.623438 -0.127353
N -2.241303 -0.267880 0.139132
N 1.273446 0.317853 -0.039628
N 3.746038 2.259005 0.013955
N 2.914599 -1.385849 -0.427879
N 5.889048 1.508615 -0.288970
N 5.319857 -0.895093 -0.577521
C -0.430254 -1.666638 -0.160805
C 0.048991 -0.370671 -0.006152
C -1.086988 0.541656 0.190824
C -3.583499 0.176457 -0.070739
C -2.599442 -2.654840 0.641864
C 0.243579 -2.996767 -0.321602
C 2.584653 -0.077941 -0.212629
C 3.648236 0.874137 -0.175382
C -4.043333 1.320144 0.629348
C -4.435328 -0.500057 -0.981087
C 4.993679 0.421968 -0.362340
C -5.361565 1.775199 0.417561
C -5.757209 -0.042728 -1.167094
C -6.227621 1.093956 -0.469637
C 5.108884 2.576243 -0.065112
C 4.241490 -1.715264 -0.593413
H 1.088057 1.325353 0.087264
H -2.313261 -3.643899 0.254173
H -3.681063 -2.519763 0.492515
H -2.372753 -2.602164 1.725248
H 0.122802 -3.629293 0.579402
H 1.320048 -2.821577 -0.478201
H -0.173243 -3.550223 -1.183524
H -3.366926 1.846539 1.306893
H -4.050267 -1.348110 -1.556679
H -5.713829 2.662831 0.954018
H -6.413391 -0.566036 -1.871180
H 2.990153 2.923115 0.178574
H -7.252380 1.448920 -0.621707
H 5.470056 3.596545 0.046863
H 4.440184 -2.778346 -0.760742


