%chk=000097002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097002

0 1
 O   -2.011400       3.473700      0.3950000    
 O   -1.543800       2.109800       2.145700    
 O    1.398800      -3.017400       1.497500    
 O  -0.6112000      -2.138500       1.418300    
 O    4.886800       1.212400      -1.390700    
 O    5.155300     -0.7376000     -0.4187000    
 N   -1.079000      5.9400000E-02  0.3515000    
 N   0.6152000      -2.098400       1.162900    
 N    4.426100      0.2172000     -0.7809000    
 C   -3.418500      0.5764000     -2.3600001E-02
 C   -1.987700       1.122200     -3.2699998E-02
 C   -3.635800     -0.5524000      -1.035700    
 C   -5.083900      -1.044000      -1.015500    
 C   0.2765000      8.0100000E-02  8.2099997E-02
 C   -1.814000       2.254800      0.9601000    
 C   -5.296900      -2.189200      -1.992600    
 C    1.135700     -0.9701000      0.4692000    
 C   0.8428000       1.176000     -0.6009000    
 C    2.500700     -0.9254000      0.1854000    
 C    2.207700       1.220800     -0.8847000    
 C    3.036700      0.1701000     -0.4916000    
 H   -4.114800       1.396900     -0.2404000    
 H   -3.675700      0.2173000      0.9821000    
 H   -1.775800       1.479000      -1.047200    
 H   -2.969600      -1.394100     -0.8134000    
 H   -3.382900     -0.1970000      -2.042000    
 H   -5.349000      -1.380400     -6.3999998E-03
 H   -5.760300     -0.2203000      -1.271700    
 H   -1.442800     -0.6535000      0.9702000    
 H   -5.068400      -1.878200      -3.017000    
 H   -6.338600      -2.523600      -1.963300    
 H   -4.659000      -3.042800      -1.742000    
 H   0.2542000       2.027100     -0.9290000    
 H    3.150900      -1.742200      0.4902000    
 H    2.591200       2.090400      -1.412500    
 H   -1.905000       4.199900       1.045900    


%chk=000097002-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097002

0 1
O -2.271948 3.461389 0.180550
O -1.383224 2.308832 1.999564
O 1.534823 -3.157891 1.373529
O -0.584177 -2.337226 1.270585
O 5.073211 1.342892 -1.172954
O 5.328570 -0.733704 -0.252164
N -1.019274 0.033181 0.246989
N 0.706880 -2.225538 1.055897
N 4.603739 0.272336 -0.615989
C -3.421894 0.554946 -0.005068
C -1.964695 1.092003 -0.101851
C -3.730857 -0.562603 -1.027355
C -5.195985 -1.047091 -0.930175
C 0.333038 0.088281 0.050002
C -1.811833 2.308807 0.831075
C -5.518003 -2.167662 -1.941641
C 1.212404 -1.001018 0.429977
C 0.955342 1.232948 -0.560914
C 2.604317 -0.936324 0.213972
C 2.328442 1.294678 -0.778437
C 3.151027 0.203217 -0.387185
H -4.107174 1.405974 -0.173949
H -3.602919 0.190824 1.026279
H -1.793155 1.441674 -1.138232
H -3.053975 -1.426189 -0.872977
H -3.535027 -0.188189 -2.053240
H -5.393172 -1.409850 0.098886
H -5.878060 -0.188521 -1.095885
H -1.351597 -0.818860 0.729847
H -5.356424 -1.825308 -2.981055
H -6.569342 -2.496147 -1.854472
H -4.873811 -3.050852 -1.774052
H 0.335494 2.082721 -0.857739
H 3.241758 -1.772007 0.513732
H 2.793910 2.168613 -1.241750
H -2.231907 4.240066 0.799798


