%chk=000117002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117002

0 1
 O    3.235100       1.131700      -1.168300    
 O   -3.233800       1.131400       1.169500    
 N    4.251900      -1.701500      0.5695000    
 N   -4.254300      -1.699300     -0.5701000    
 C   5.1000002E-03   2.004100      6.0000003E-04
 C    1.242500       1.190600      0.1665000    
 C   -1.241900       1.189700     -0.1665000    
 C    1.941600      0.7713000     -0.9580000    
 C   -1.940800      0.7701000      0.9582000    
 C    3.005000     -0.1609000     -0.8164000    
 C   -3.005000     -0.1610000      0.8164000    
 C    3.331300     -0.6416000      0.4452000    
 C   -3.332600     -0.6404000     -0.4455000    
 C    1.667400      0.8060000       1.442000    
 C   -1.667900      0.8065000      -1.442000    
 C    2.712400     -0.1107000       1.581300    
 C   -2.713800     -0.1092000      -1.581600    
 C    4.917100      -2.289400     -0.5525000    
 C   -4.919400      -2.287500      0.5518000    
 H  -0.1142000       2.681400      0.8579000    
 H   0.1212000       2.681200     -0.8574000    
 H    1.147100       1.156000       2.329600    
 H   -1.147200       1.156500      -2.329500    
 H    2.986100     -0.4571000       2.574700    
 H   -2.988300     -0.4544000      -2.575100    
 H    4.494300      -2.008700       1.504700    
 H   -4.497400      -2.005500      -1.505400    
 H    5.528100      -1.553700      -1.085800    
 H    4.203200      -2.738700      -1.250700    
 H    5.585600      -3.085300     -0.2092000    
 H   -4.205500      -2.738100       1.249300    
 H   -5.588900      -3.082600      0.2082000    
 H   -5.529400      -1.551700       1.086100    


%chk=000117002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117002

0 1
O 3.459401 1.421126 -1.666066
O -3.457522 1.425221 1.658593
N 5.220682 -1.325572 0.424617
N -5.220962 -1.330778 -0.417136
C -0.000645 1.435582 -0.007560
C 1.274901 0.610572 -0.019718
C -1.275691 0.610031 0.010720
C 2.383029 0.743976 -0.836672
C -2.382000 0.745689 0.829737
C 3.559376 0.085968 -0.786662
C -3.558032 0.086693 0.784952
C 3.963302 -0.781913 0.227413
C -3.963529 -0.785465 -0.224829
C 1.554137 -0.462546 0.924067
C -1.556222 -0.467009 -0.928216
C 2.797581 -1.112939 1.046591
C -2.799433 -1.118839 -1.045351
C 6.369844 -0.907097 -0.377299
C -6.368718 -0.909703 0.385441
H -0.005889 2.103637 0.875159
H 0.004334 2.096907 -0.895339
H 0.740806 -0.769396 1.593735
H -0.744130 -0.775868 -1.598465
H 2.908939 -1.894835 1.809008
H -2.911935 -1.903817 -1.804421
H 5.349937 -1.997019 1.177995
H -5.351460 -2.005064 -1.167761
H 6.732677 0.104089 -0.103707
H 6.093251 -0.887861 -1.449594
H 7.198467 -1.622579 -0.246232
H -6.090289 -0.886907 1.457196
H -7.197531 -1.625642 0.258173
H -6.732075 0.100557 0.109131


