%chk=000097416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097416

0 1
 O   0.6029000      0.5509000       1.144200    
 O  -0.1106000     -0.3409000     -0.8963000    
 O    6.434300      0.6122000      -1.173900    
 O    6.405500      -1.383600     -0.2602000    
 N    5.847600     -0.2934000     -0.5336000    
 C   -5.382600     -0.1399000     -0.5017000    
 C   -4.232500      0.3027000      0.4080000    
 C   -6.765700      6.7000002E-02  0.1195000    
 C   -2.847000      2.5800001E-02 -0.1858000    
 C   -7.869200     -0.4579000     -0.8001000    
 C   -1.718100      0.4154000      0.7696000    
 C   -9.244000     -0.2901000     -0.1729000    
 C  -0.3406000      0.1376000      0.2061000    
 C    1.917900      0.3390000      0.7231000    
 C    2.557500       1.337600      2.2700001E-02
 C    2.524500     -0.8600000       1.025900    
 C    4.511200     -7.7699997E-02 -0.1046000    
 C    3.871000       1.126500     -0.3966000    
 C    3.838000      -1.071000      0.6067000    
 H   -5.323200      0.4092000      -1.449500    
 H   -5.253400      -1.202500     -0.7434000    
 H   -4.330100       1.374800      0.6177000    
 H   -4.319100     -0.2177000       1.370000    
 H   -6.922900       1.133800      0.3188000    
 H   -6.813900     -0.4530000       1.083900    
 H   -2.737400      0.5744000      -1.129500    
 H   -2.761900      -1.039800     -0.4330000    
 H   -7.841100      7.6099999E-02  -1.757100    
 H   -7.701800      -1.519600      -1.015600    
 H   -1.783600       1.486500      0.9920000    
 H   -1.819300     -0.1477000       1.704300    
 H   -9.457000      0.7646000      2.8500000E-02
 H   -10.01740     -0.6701000     -0.8476000    
 H   -9.315000     -0.8415000      0.7701000    
 H    2.059100       2.275100     -0.2034000    
 H    2.000300      -1.632200       1.580200    
 H    4.363900       1.922600     -0.9487000    
 H    4.304800      -2.021500      0.8519000    


%chk=000097416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097416

0 1
O 0.625285 -0.169032 0.683853
O -0.256154 0.293484 -1.458607
O 6.744457 0.518938 -1.125721
O 6.968322 0.033121 1.092799
N 6.253110 0.235895 0.035309
C -5.551706 0.110474 -0.545570
C -4.304051 -0.193409 0.313831
C -6.880954 -0.138833 0.201899
C -2.979089 0.064186 -0.436849
C -8.130650 0.172556 -0.652851
C -1.751362 -0.224822 0.448280
C -9.453940 -0.072721 0.103900
C -0.432746 0.004918 -0.261824
C 2.009096 -0.043300 0.402019
C 2.573703 0.264385 -0.863048
C 2.827227 -0.259502 1.539288
C 4.782055 0.137701 0.163917
C 3.975244 0.353576 -0.973368
C 4.222918 -0.169581 1.425795
H -5.514975 1.166888 -0.884389
H -5.525432 -0.511376 -1.464615
H -4.336158 0.427329 1.233960
H -4.340994 -1.251014 0.650039
H -6.906287 0.480174 1.123368
H -6.922487 -1.196485 0.537266
H -2.943686 1.114842 -0.784206
H -2.933752 -0.562373 -1.347963
H -8.086812 1.228091 -0.990955
H -8.108007 -0.448645 -1.571562
H -1.761046 0.398074 1.363892
H -1.761933 -1.273902 0.807439
H -9.516661 0.561410 1.008450
H -10.331112 0.154662 -0.529318
H -9.535643 -1.127444 0.428185
H 1.935426 0.429184 -1.730495
H 2.349137 -0.494222 2.494127
H 4.449732 0.588437 -1.929701
H 4.881027 -0.329966 2.283127


