%chk=000040562.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040562

0 1
 O  -0.4998000       3.043400      -1.367800    
 O   0.4315000       3.098400       1.330600    
 O   -2.116900       3.099900      0.9757000    
 O    2.114600       3.122500     -0.9719000    
 O   -3.185800      -3.041400     -0.5646000    
 O    3.234400      -3.002500      0.5578000    
 N   -2.145600     -0.5541000      0.3481000    
 N    2.152600     -0.5271000     -0.3387000    
 C  -0.6036000       1.919800     -0.4956000    
 C   0.5682000       1.937900      0.5143000    
 C   -1.995700       1.921800      0.1749000    
 C    1.952500       1.950700     -0.1748000    
 C   -2.256600      0.7077000       1.077200    
 C    2.237600      0.7349000      -1.070500    
 C   -2.311100      -1.697600       1.256000    
 C   -3.139200     -0.6214000     -0.7326000    
 C    2.314300      -1.669700      -1.248400    
 C    3.165200     -0.5829000      0.7248000    
 C   -2.203100      -3.001700      0.4708000    
 C   -3.012800      -1.951100      -1.470600    
 C    2.233700      -2.974100     -0.4605000    
 C    3.065600      -1.913300       1.465800    
 H  -0.5227000       1.029200      -1.126700    
 H   0.5182000       1.066800       1.175300    
 H   -2.767700       2.029100     -0.5938000    
 H    2.719700       2.056800      0.5983000    
 H   -3.251300      0.8099000       1.533800    
 H   -1.556900      0.7248000       1.922000    
 H    3.228600      0.8571000      -1.530500    
 H    1.535700      0.7337000      -1.913700    
 H   -1.534400      -1.684400       2.029200    
 H   -3.288600      -1.650900       1.753300    
 H   -4.154300     -0.5231000     -0.3266000    
 H   -2.989400      0.1637000      -1.478800    
 H    1.524200      -1.665800      -2.008000    
 H    3.282500      -1.612900      -1.762700    
 H    4.172100     -0.4746000      0.3013000    
 H    3.020000      0.2020000       1.472000    
 H   -1.206500      -3.129200      3.2400001E-02
 H   -2.384300      -3.852900       1.134800    
 H   -3.791500      -2.028700      -2.236200    
 H   -2.042400      -2.043900      -1.973800    
 H    1.246200      -3.111700     -4.9000001E-03
 H    2.412300      -3.824000      -1.126900    
 H    3.858200      -1.982000       2.217800    
 H    2.105100      -2.015800       1.985800    
 H   -1.219500       2.978400      -2.018300    
 H  -0.3295000       2.960800       1.919300    
 H   -3.013900       3.110000       1.351300    
 H    1.505200       3.062500      -1.726700    


%chk=000040562-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040562

0 1
O -0.735592 3.277911 -1.256963
O 0.890260 3.302011 0.981915
O -1.733444 2.854398 1.555740
O 1.851988 2.566755 -1.846114
O -3.222112 -2.933864 -1.399268
O 3.344607 -2.852312 1.579996
N -2.337770 -0.519896 -0.065806
N 2.141933 -0.671359 0.054918
C -0.678087 2.018667 -0.472289
C 0.665126 2.025293 0.301208
C -1.916385 1.902353 0.439704
C 1.899160 1.793866 -0.598681
C -2.100156 0.471042 1.005302
C 2.091862 0.328977 -1.046484
C -1.632999 -1.812762 0.144937
C -3.772848 -0.740574 -0.372902
C 2.264916 -2.047998 -0.503095
C 3.253170 -0.427722 1.019188
C -1.798891 -2.695395 -1.101753
C -3.909293 -1.649645 -1.607161
C 2.251395 -3.089915 0.625799
C 3.230205 -1.490450 2.128928
H -0.708158 1.141740 -1.149602
H 0.633512 1.193744 1.037816
H -2.813262 2.187285 -0.153994
H 2.768362 2.142187 -0.003959
H -2.929741 0.483456 1.753399
H -1.182290 0.199219 1.557105
H 3.018013 0.304281 -1.671376
H 1.252659 0.055026 -1.714830
H -0.560701 -1.604153 0.318004
H -2.035392 -2.360696 1.032500
H -4.303936 -1.213931 0.490858
H -4.261585 0.230916 -0.579649
H 1.418555 -2.232694 -1.193414
H 3.210298 -2.161690 -1.090203
H 4.244968 -0.451039 0.502757
H 3.133573 0.569155 1.479393
H -1.312745 -2.204306 -1.973422
H -1.360620 -3.695077 -0.945826
H -4.964359 -1.906666 -1.797278
H -3.483300 -1.135922 -2.496301
H 1.275994 -3.054781 1.160463
H 2.418222 -4.106080 0.231381
H 4.091473 -1.373715 2.806881
H 2.285258 -1.400744 2.708595
H -1.395298 3.169907 -1.987138
H 0.017832 3.565107 1.388094
H -2.574610 2.971396 2.060194
H 1.145332 3.263693 -1.738569


