%chk=000097077.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097077

0 1
 O    2.432000       2.877900      0.4192000    
 O    1.415900      -1.183800      -1.565100    
 O  -0.4599000       1.249800       1.161800    
 O   -3.806700       3.080600     -0.7082000    
 O   -5.182100       2.221400      0.8670000    
 N    1.543100       1.003300     -0.6957000    
 N   -2.038700       1.163100     -0.5393000    
 C   -3.203300      0.9549000      0.2914000    
 C   -3.927200     -0.3467000     -7.6600000E-02
 C   0.2647000       1.534200      -1.125100    
 C    3.593000      0.8181000      0.2495000    
 C    3.287800     -0.3975000     -0.3449000    
 C    2.470900       1.728000      2.2600001E-02
 C    1.965900     -0.2822000     -0.9602000    
 C  -0.7547000       1.294100     -3.0500000E-02
 C   -3.044100      -1.565700      4.1800000E-02
 C    4.783200       1.026700      0.9156000    
 C    4.156600      -1.468500     -0.3046000    
 C   -4.163900       2.130400      0.1888000    
 C   -2.305800      -1.978800      -1.055800    
 C   -2.988100      -2.249400       1.245900    
 C    5.679100     -4.4900000E-02  0.9697000    
 C    5.368900      -1.280400      0.3654000    
 C   -1.490300      -3.105200     -0.9466000    
 C   -2.172500      -3.375700       1.355200    
 C   -1.423700      -3.803600      0.2589000    
 H   -2.877600      0.9167000       1.338100    
 H   -4.814700     -0.4781000      0.5569000    
 H   -4.318000     -0.2830000      -1.101900    
 H   0.3463000       2.613000      -1.290700    
 H  -3.7799999E-02   1.034000      -2.050500    
 H   -2.187800       1.265800      -1.539100    
 H    5.022100       1.976300       1.379700    
 H    3.918600      -2.418200     -0.7691000    
 H   -2.351100      -1.444100      -2.000200    
 H   -3.565800      -1.922200       2.105600    
 H    6.629200      7.3700003E-02   1.484200    
 H    6.084200      -2.096700      0.4227000    
 H  -0.9068000      -3.438000      -1.800100    
 H   -2.119800      -3.919100       2.294100    
 H  -0.7881000      -4.680100      0.3441000    
 H   -4.452400       3.818500     -0.7376000    


%chk=000097077-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097077

0 1
O 2.606435 3.050252 0.448678
O 1.212184 -0.888515 -1.716040
O -0.495354 0.825207 1.116601
O -4.174657 2.881796 -0.931752
O -5.235172 2.159945 1.007932
N 1.617948 1.226974 -0.715885
N -2.043537 1.341992 -0.554869
C -3.230375 0.954176 0.210533
C -3.885474 -0.384705 -0.304619
C 0.324434 1.832803 -0.981660
C 3.731780 0.840457 0.173065
C 3.315139 -0.343753 -0.484353
C 2.649592 1.866021 0.038818
C 1.950565 -0.114589 -1.056289
C -0.764307 1.269863 -0.032906
C -3.052341 -1.612633 0.023297
C 4.977677 0.924262 0.811186
C 4.132744 -1.482562 -0.525736
C -4.301723 2.042727 0.190150
C -1.929745 -1.974648 -0.763568
C -3.378137 -2.408005 1.152125
C 5.811248 -0.223964 0.777097
C 5.395257 -1.408792 0.118586
C -1.144183 -3.097937 -0.424402
C -2.601079 -3.538593 1.488152
C -1.478993 -3.885816 0.700547
H -2.912168 0.804724 1.257564
H -4.881366 -0.466070 0.168710
H -4.039928 -0.286157 -1.396366
H 0.430195 2.917997 -0.794138
H 0.048376 1.672076 -2.039366
H -2.198870 1.758444 -1.475568
H 5.286681 1.843757 1.317792
H 3.801602 -2.392521 -1.035633
H -1.649829 -1.373753 -1.636023
H -4.244809 -2.140191 1.769833
H 6.790047 -0.197727 1.267716
H 6.059431 -2.279611 0.110072
H -0.266922 -3.339877 -1.033579
H -2.868220 -4.144551 2.361420
H -0.870793 -4.758868 0.963310
H -4.912755 3.548963 -0.934033


