%chk=000055139.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055139

0 1
 O    4.429800     -0.7446000     -0.2918000    
 O   -1.655200       2.865900     -0.8011000    
 O    4.513900       1.392000      0.5193000    
 N   -1.587000      0.5826000     -9.3300000E-02
 N    2.517900      0.1979000      0.5809000    
 N   -3.580300       1.503700     -0.7010000    
 C   0.5017000       1.609800      0.6554000    
 C  -0.2598000      0.4066000      0.1778000    
 C    1.801600       1.213500       1.352000    
 C    1.786200      -1.042300      0.2879000    
 C   0.3287000     -0.7912000      3.2499999E-02
 C   -2.591600     -0.3935000      3.9700001E-02
 C   -3.805700      0.1792000     -0.3340000    
 C   -2.194400       1.793400     -0.5622000    
 C    3.875400      0.3674000      0.2863000    
 C   -2.520500      -1.709500      0.4526000    
 C   -4.993500     -0.5190000     -0.3158000    
 C   -3.713800      -2.439900      0.4803000    
 C   -4.937100      -1.851000      0.1001000    
 C    5.821100     -0.6573000     -0.6206000    
 C    6.262900      -1.963600      -1.245100    
 H   0.7453000       2.242700     -0.2068000    
 H  -9.5500000E-02   2.205200       1.356200    
 H    2.426100       2.098700       1.510000    
 H    1.594700      0.7819000       2.339300    
 H    1.905200      -1.707800       1.149800    
 H    2.226700      -1.534800     -0.5846000    
 H  -0.1709000      -1.638300     -0.4203000    
 H   -4.296500       2.147100      -1.014700    
 H   -1.632700      -2.197800      0.8274000    
 H   -5.932300     -6.3500002E-02 -0.6075000    
 H   -3.703300      -3.473800      0.8163000    
 H   -5.848000      -2.442900      0.1359000    
 H    5.977400      0.1633000      -1.329600    
 H    6.399900     -0.4681000      0.2902000    
 H    7.323500      -1.931900      -1.509500    
 H    6.095100      -2.796900     -0.5548000    
 H    5.679600      -2.176000      -2.147200    


%chk=000055139-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055139

0 1
O 4.490881 -0.731685 -0.279017
O -1.499051 2.689478 -1.227901
O 4.545596 1.304196 0.900616
N -1.612299 0.501331 -0.203969
N 2.551676 0.082674 0.653956
N -3.519804 1.437643 -0.953356
C 0.528684 1.519272 0.659330
C -0.214176 0.326823 0.078017
C 1.759478 1.036551 1.454160
C 1.863235 -1.121913 0.157569
C 0.399661 -0.869702 -0.130002
C -2.666875 -0.416176 0.048959
C -3.873678 0.184812 -0.425701
C -2.133006 1.674553 -0.841190
C 3.901153 0.308890 0.469990
C -2.692233 -1.672631 0.681007
C -5.116149 -0.458430 -0.300854
C -3.945112 -2.321783 0.811899
C -5.136375 -1.730230 0.323560
C 5.944631 -0.553996 -0.554363
C 6.378392 -1.752927 -1.392710
H 0.829527 2.210547 -0.147302
H -0.142626 2.091662 1.326507
H 2.419916 1.877770 1.717344
H 1.429212 0.543696 2.391686
H 1.964182 -1.957157 0.887455
H 2.372693 -1.459743 -0.761893
H -0.149720 -1.713308 -0.562921
H -4.140546 2.121700 -1.379399
H -1.780937 -2.132703 1.071228
H -6.038259 0.005066 -0.666059
H -3.989320 -3.300815 1.300406
H -6.088773 -2.259092 0.433531
H 6.089275 0.405312 -1.083186
H 6.480917 -0.497720 0.410165
H 7.456179 -1.675125 -1.625370
H 6.208169 -2.697799 -0.848313
H 5.820081 -1.791842 -2.343882


