%chk=000021297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021297

0 1
 O  -0.6342000     -0.3774000      -1.035700    
 N    3.306500     -0.2280000      0.2137000    
 N   -4.058100     -9.5799997E-02  0.2775000    
 C   0.5331000       3.216900     -4.7600001E-02
 C   0.6556000       2.143500      -1.129400    
 C    1.813400       4.020200      0.1776000    
 C    1.350800      0.8997000     -0.6485000    
 C    2.987400       3.215900      0.7345000    
 C    3.511400       2.147700     -0.2238000    
 C    2.676700      0.8947000     -0.2242000    
 C   0.6677000     -0.3189000     -0.6171000    
 C    1.297700      -1.487000     -0.1704000    
 C    2.637600      -1.394200      0.2424000    
 C   -1.636100     -0.1632000     -4.7800001E-02
 C   -3.007600     -0.2705000     -0.6891000    
 C   0.6255000      -2.721000     -0.1294000    
 C    3.269300      -2.552100      0.6882000    
 C   -5.384600     -0.2460000     -0.3405000    
 C   -3.968500       1.217400      0.9344000    
 C    1.279100      -3.864500      0.3201000    
 C    2.603800      -3.779500      0.7298000    
 C   -5.493200      -1.596100      -1.022700    
 C   -5.033200       1.338200       2.007700    
 H  -0.2453000       3.924800     -0.3600000    
 H   0.1942000       2.777800      0.8989000    
 H    1.194200       2.537100      -2.001000    
 H  -0.3501000       1.922300      -1.501900    
 H    2.112200       4.506000     -0.7596000    
 H    1.588400       4.828900      0.8843000    
 H    2.714500       2.772200       1.700000    
 H    3.803100       3.922700      0.9330000    
 H    4.531000       1.883700      8.5800000E-02
 H    3.596700       2.537400      -1.245200    
 H   -1.533400     -0.9038000      0.7551000    
 H   -1.458100      0.8281000      0.3758000    
 H   -3.081700      0.4505000      -1.514800    
 H   -3.032500      -1.262500      -1.153900    
 H  -0.4082000      -2.817900     -0.4519000    
 H   -6.173400     -0.2324000      0.4180000    
 H   -5.594400      0.5536000      -1.061800    
 H   -3.021500       1.331700       1.468400    
 H   -4.052800       2.044000      0.2184000    
 H    4.307100      -2.510700       1.014200    
 H   0.7580000      -4.816500      0.3486000    
 H    3.123000      -4.666000       1.081900    
 H   -5.145500      -2.411500     -0.3788000    
 H   -4.951800      -1.632300      -1.973200    
 H   -6.543600      -1.799900      -1.261200    
 H   -5.071000      0.4517000       2.650200    
 H   -6.029300       1.523700       1.594000    
 H   -4.805600       2.194700       2.653000    


%chk=000021297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021297

0 1
O -0.660505 -0.250563 -1.271336
N 3.340020 -0.315195 0.193659
N -4.153443 0.175330 0.019268
C 0.549923 3.238765 0.248246
C 0.754872 2.283073 -0.964581
C 1.831973 3.975405 0.704153
C 1.378491 0.943915 -0.616162
C 2.987690 3.068149 1.188977
C 3.562450 2.107239 0.107616
C 2.735800 0.852595 -0.117449
C 0.664603 -0.254390 -0.770648
C 1.273825 -1.522428 -0.473483
C 2.633847 -1.498115 0.015825
C -1.709066 -0.080540 -0.227199
C -3.066663 -0.140345 -0.938765
C 0.608424 -2.776329 -0.650159
C 3.281370 -2.735532 0.327022
C -5.361426 -0.675864 -0.137484
C -4.452898 1.630815 0.094492
C 1.266386 -3.970140 -0.340014
C 2.609327 -3.949309 0.154856
C -5.150037 -2.111905 0.378382
C -5.033315 2.060837 1.455394
H -0.204741 4.000116 -0.033817
H 0.122765 2.667921 1.097737
H 1.389039 2.802944 -1.712428
H -0.215180 2.092995 -1.456987
H 2.200513 4.595495 -0.140541
H 1.567434 4.681898 1.516657
H 2.663845 2.474560 2.066938
H 3.812651 3.719582 1.538777
H 4.567893 1.767361 0.408623
H 3.673055 2.669821 -0.843275
H -1.625506 -0.886741 0.526741
H -1.568534 0.894055 0.282299
H -3.049390 0.552604 -1.811943
H -3.207873 -1.156751 -1.346590
H -0.410124 -2.778314 -1.051577
H -6.176314 -0.209885 0.445469
H -5.708400 -0.702556 -1.201486
H -3.504169 2.176531 -0.069922
H -5.142429 1.946500 -0.729157
H 4.310805 -2.689641 0.695631
H 0.757397 -4.930156 -0.481066
H 3.112268 -4.893205 0.393139
H -4.868337 -2.093646 1.445484
H -4.349230 -2.634601 -0.176334
H -6.076724 -2.704781 0.264024
H -4.331965 1.800087 2.266996
H -5.998465 1.566726 1.669544
H -5.207630 3.153014 1.472455


