%chk=000030291.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030291

0 1
 O   4.2500000E-02  -1.080100      0.7519000    
 O  -0.8740000       1.203300       1.660800    
 N    3.444900     -0.1483000     -0.3037000    
 N  -0.7390000      -3.574500     -0.2477000    
 C    2.370700     -0.5420000      0.5956000    
 C    3.138200       1.130500     -0.9492000    
 C    4.717200     -5.7900000E-02  0.4171000    
 C    1.059400     -0.6777000     -0.1617000    
 C   -1.216400      -1.234100      0.2473000    
 C   -2.108700     -0.1862000      0.2206000    
 C    4.220700       1.518000      -1.942200    
 C    5.058100      -1.373600       1.096100    
 C   -2.320800       2.397100      0.1469000    
 C   -1.699400       1.147200      0.7521000    
 C   -1.620600      -2.471300     -0.2546000    
 C   -1.371500       3.594400      0.1926000    
 C   -3.385300     -0.3108000     -0.2821000    
 C   -2.907200      -2.628000     -0.7702000    
 C   -3.789500      -1.547700     -0.7838000    
 C   -2.019400       4.841800     -0.3857000    
 H    2.248100      0.1669000       1.425600    
 H    2.554400      -1.520900       1.052000    
 H    2.232100       1.063600      -1.556600    
 H    2.992500       1.936600     -0.2194000    
 H    4.709900      0.7488000       1.160900    
 H    5.540400      0.1382000     -0.2775000    
 H    1.153600      -1.421400     -0.9626000    
 H   0.7295000      0.2683000     -0.5978000    
 H    5.130400       1.876700      -1.450900    
 H    4.478800      0.6869000      -2.607700    
 H    3.863700       2.340700      -2.572300    
 H    4.938900      -2.225500      0.4178000    
 H    4.462200      -1.547000       1.997500    
 H    6.106100      -1.358300       1.416800    
 H   -3.238300       2.620100      0.7030000    
 H   -2.581400       2.208400     -0.9006000    
 H   -1.069600       3.796000       1.227300    
 H  -0.4555000       3.363100     -0.3641000    
 H   -4.099700      0.5059000     -0.2872000    
 H   -3.235300      -3.586900      -1.163400    
 H   -4.792900      -1.671400      -1.181100    
 H   -2.301600       4.688000      -1.432200    
 H   -1.323400       5.685300     -0.3422000    
 H   -2.918400       5.113600      0.1767000    
 H   0.1889000      -3.475800      0.1418000    
 H   -1.042700      -4.468400     -0.6101000    


%chk=000030291-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030291

0 1
O 0.121314 -1.194389 0.745374
O -0.106662 1.568125 0.037657
N 3.590474 0.002771 -0.032741
N -1.022768 -3.595118 0.608823
C 2.421806 -0.393330 0.792109
C 3.509049 1.415391 -0.498879
C 4.902774 -0.357297 0.558297
C 1.316589 -0.938567 -0.119212
C -1.141873 -1.224764 0.123358
C -1.860773 -0.076704 -0.331046
C 4.232103 1.644852 -1.839833
C 5.200332 -1.867339 0.480055
C -2.332834 2.485164 -0.272282
C -1.331643 1.320486 -0.181153
C -1.743491 -2.529430 0.085366
C -1.715633 3.852521 0.079086
C -3.162231 -0.273571 -0.890655
C -3.032707 -2.683540 -0.487383
C -3.725607 -1.558483 -0.981821
C -2.741854 4.998630 -0.043269
H 2.001733 0.454967 1.374261
H 2.720228 -1.174424 1.514840
H 2.439954 1.669375 -0.613818
H 3.914184 2.116835 0.273675
H 4.986321 -0.011643 1.620561
H 5.683972 0.182945 -0.007523
H 1.619092 -1.892681 -0.592830
H 1.058271 -0.198874 -0.892515
H 5.311922 1.417198 -1.771875
H 3.797785 0.996320 -2.620804
H 4.131593 2.699985 -2.157143
H 5.180941 -2.202050 -0.571816
H 4.455140 -2.461128 1.040925
H 6.195992 -2.090310 0.907919
H -3.198678 2.270813 0.385682
H -2.742811 2.520385 -1.304256
H -1.307393 3.813487 1.106434
H -0.848685 4.040926 -0.580414
H -3.727653 0.584916 -1.261167
H -3.484043 -3.681421 -0.544500
H -4.716008 -1.689273 -1.431058
H -3.134448 5.078149 -1.075229
H -2.285085 5.970723 0.217517
H -3.604253 4.840558 0.632106
H -0.145137 -3.386388 1.080205
H -1.408699 -4.533199 0.632770


