%chk=000019593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019593

0 1
 O    4.984500       3.519300      0.5071000    
 O    5.373000      -3.090200     -8.6700000E-02
 N    3.627200      0.1407000      1.7400000E-02
 N   -1.931900     -0.1110000     -0.6141000    
 N   -2.499000      0.2612000      0.4393000    
 C    2.227100      7.2499998E-02 -0.1397000    
 C    4.344600       1.355200     -0.3155000    
 C    4.364800     -0.9981000      0.5269000    
 C    1.544900      -1.100600      0.1833000    
 C   0.1603000      -1.167500      2.7899999E-02
 C    1.524500       1.178600     -0.6180000    
 C    4.247600       2.347100      0.8312000    
 C    4.618600      -1.995200     -0.5909000    
 C  -0.5421000     -6.1299998E-02 -0.4504000    
 C   0.1400000       1.111800     -0.7733000    
 C  -0.5485000      -2.434800      0.3784000    
 C   -3.893900      0.2116000      0.2753000    
 C   -4.585400     -0.9529000      0.5943000    
 C   -4.573200       1.327000     -0.2049000    
 C   -5.969800      -1.002800      0.4310000    
 C   -5.957500       1.277100     -0.3681000    
 C   -6.655800      0.1122000     -5.0200000E-02
 H    5.406800       1.129500     -0.4842000    
 H    4.030600       1.792200      -1.271100    
 H    3.890400      -1.462400       1.400000    
 H    5.337500     -0.6705000      0.9196000    
 H    2.047200      -1.983900      0.5624000    
 H    1.994300       2.117600     -0.8884000    
 H    4.677200       1.925100       1.746100    
 H    3.220300       2.643400       1.060300    
 H    5.198900      -1.533300      -1.396900    
 H    3.701300      -2.390300      -1.036000    
 H  -0.3986000       1.978500      -1.148100    
 H   0.1515000      -3.255000      0.5713000    
 H   -1.153300      -2.294700       1.280100    
 H   -1.196500      -2.756800     -0.4437000    
 H    4.583000       3.905500     -0.2900000    
 H    4.842800      -3.513700      0.6099000    
 H   -4.058700      -1.826100      0.9703000    
 H   -4.037000       2.238700     -0.4544000    
 H   -6.513500      -1.909800      0.6786000    
 H   -6.491900       2.145300     -0.7426000    
 H   -7.733800      7.3500000E-02 -0.1772000    


%chk=000019593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019593

0 1
O 5.266542 3.571136 0.345961
O 5.846484 -2.950820 -0.305511
N 3.654927 0.140041 0.028283
N -2.003474 -0.442739 0.084828
N -2.730544 0.613962 -0.209499
C 2.259601 0.017565 0.031897
C 4.325606 1.386455 -0.387095
C 4.535471 -0.969589 0.438521
C 1.620218 -1.222167 0.356460
C 0.220698 -1.366764 0.376060
C 1.414209 1.132849 -0.289736
C 4.466911 2.413582 0.766411
C 4.853200 -1.951316 -0.719375
C -0.601621 -0.238250 0.050228
C 0.024968 0.999036 -0.282075
C -0.403502 -2.703738 0.728333
C -4.144031 0.386702 -0.169761
C -4.767415 -0.856362 0.143710
C -4.948264 1.517941 -0.474432
C -6.171497 -0.951531 0.148428
C -6.355118 1.414367 -0.466928
C -6.972330 0.179714 -0.155738
H 5.340675 1.142729 -0.748832
H 3.789958 1.843378 -1.241407
H 4.088836 -1.516458 1.291287
H 5.492385 -0.552041 0.800043
H 2.222952 -2.103943 0.593088
H 1.847922 2.106037 -0.536428
H 5.034724 1.969583 1.600610
H 3.470400 2.717569 1.146241
H 5.331486 -1.410350 -1.552429
H 3.925734 -2.425954 -1.099186
H -0.621575 1.848654 -0.523846
H 0.371531 -3.458302 0.949445
H -1.067042 -2.610962 1.605985
H -1.034739 -3.076017 -0.097660
H 4.744306 4.123432 -0.288688
H 5.432029 -3.588768 0.328358
H -4.132467 -1.716959 0.375596
H -4.443973 2.460804 -0.711737
H -6.651861 -1.907217 0.388801
H -6.968828 2.290980 -0.702340
H -8.064993 0.096429 -0.149570


