%chk=000040373.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040373

0 1
 O  -0.2462000     -0.3128000      -1.169600    
 O  -0.2116000     -0.4780000       1.228200    
 N   -1.925900       3.264200      0.3254000    
 C   0.3267000      0.2053000      6.2700003E-02
 C  -6.4400002E-02   1.684000      0.1700000    
 C   -1.578800       1.850400      0.2438000    
 C    1.848100      7.8000002E-02  3.2200001E-02
 C   -1.063000      -1.299200     -0.7096000    
 C   -1.043100      -1.393600      0.6612000    
 C    2.556400     -6.2799998E-02   1.223300    
 C    2.521800      0.1034000      -1.186700    
 C   -1.842800      -2.132600      -1.484000    
 C   -1.801800      -2.326900       1.336400    
 C   -3.379200       3.436900      0.3630000    
 C   -1.356400       4.000900     -0.8043000    
 C    3.946200     -0.1786000       1.195500    
 C    3.911600     -1.2600000E-02  -1.214600    
 C   -2.620800      -3.088100     -0.8260000    
 C   -2.600400      -3.184600      0.5765000    
 C    4.623700     -0.1535000     -2.3399999E-02
 H   0.3488000       2.187000     -0.7111000    
 H   0.3908000       2.134500       1.062200    
 H   -1.964400       1.346600       1.137700    
 H   -2.062400       1.395500     -0.6293000    
 H    2.053100     -7.3600002E-02   2.185800    
 H    1.991300      0.2236000      -2.126800    
 H   -1.856000      -2.053800      -2.565100    
 H   -1.783500      -2.396900       2.417900    
 H   -3.808100       2.904900       1.219600    
 H   -3.863600       3.070000     -0.5492000    
 H   -3.638700       4.493800      0.4911000    
 H  -0.2786000       4.153700     -0.6914000    
 H   -1.774000       5.014700     -0.8466000    
 H   -1.562600       3.521500      -1.768400    
 H    4.501100     -0.2856000       2.122900    
 H    4.439700      9.7000003E-03  -2.163300    
 H   -3.248300      -3.763100      -1.401500    
 H   -3.212400      -3.933500       1.071900    
 H    5.705900     -0.2424000     -4.5100000E-02


%chk=000040373-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040373

0 1
O -0.403790 -0.278988 -1.225852
O -0.450778 -0.356071 1.170730
N -1.890447 3.582404 0.252912
C 0.215902 0.335733 0.005382
C -0.114484 1.829363 0.045531
C -1.625646 2.134461 0.065668
C 1.713828 0.037707 0.029377
C -1.035022 -1.465296 -0.782951
C -1.062052 -1.510947 0.628566
C 2.395668 -0.044240 1.267892
C 2.436551 -0.090451 -1.180970
C -1.615192 -2.465688 -1.566266
C -1.669798 -2.559655 1.322926
C -3.286215 3.833114 0.669239
C -1.521102 4.398281 -0.922252
C 3.791487 -0.256313 1.293881
C 3.833006 -0.302833 -1.151585
C -2.233768 -3.545224 -0.874004
C -2.260311 -3.591238 0.539206
C 4.514625 -0.383163 0.084718
H 0.380776 2.289660 -0.829428
H 0.352824 2.264566 0.948144
H -2.074861 1.595794 0.919281
H -2.099453 1.739556 -0.867591
H 1.827132 0.036503 2.200225
H 1.898862 -0.043029 -2.133437
H -1.592628 -2.418674 -2.658264
H -1.687616 -2.583753 2.415748
H -3.504691 3.271628 1.594896
H -4.042638 3.536255 -0.102006
H -3.422517 4.908938 0.881652
H -0.443429 4.301197 -1.138438
H -1.723347 5.462840 -0.707931
H -2.087193 4.116109 -1.847434
H 4.313786 -0.325978 2.254618
H 4.387153 -0.408620 -2.090971
H -2.693786 -4.353821 -1.451427
H -2.740326 -4.435266 1.045248
H 5.597687 -0.548460 0.106265


