%chk=000096717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096717

0 1
 O   -2.698900      -2.473200     -0.2149000    
 O   -4.783200       1.642300      0.2354000    
 N   0.7879000      0.1416000     -4.8099998E-02
 N   3.3000000E-03   1.260900      1.4700000E-02
 N   -3.733900     -0.4084000      7.0000002E-03
 N   0.2677000      -2.307100     -0.3017000    
 C   -1.345100     -0.5270000     -6.0800001E-02
 C   -1.320700      0.9249000      4.1400000E-02
 C  -6.8000004E-02 -0.9951000     -0.1280000    
 C    2.205100      0.1841000     -3.0000001E-04
 C   -2.627800      -1.254700     -0.1021000    
 C   -2.427900       1.659200      0.1421000    
 C   -3.751600      0.9817000      0.1350000    
 C    2.936400     -0.8668000      0.5801000    
 C    2.909900       1.277400     -0.5328000    
 C    4.329900     -0.8256000      0.6265000    
 C    4.303400       1.318700     -0.4865000    
 C    5.013400      0.2671000      9.3099996E-02
 H   0.3473000       2.199700      0.1601000    
 H   -2.401800       2.739300      0.2237000    
 H   -4.642700     -0.8636000     -6.6000000E-03
 H    2.441500      -1.713400       1.046400    
 H    2.382400       2.105700     -0.9996000    
 H    1.221000      -2.557600     -0.5262000    
 H  -0.4616000      -3.005100     -0.3807000    
 H    4.882700      -1.639300       1.086900    
 H    4.836100       2.168500     -0.9033000    
 H    6.098300      0.3000000      0.1309000    


%chk=000096717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096717

0 1
O -2.631152 -2.474776 -0.474086
O -4.905515 1.615342 0.019638
N 0.810089 0.088329 0.268091
N 0.034867 1.315859 0.239790
N -3.721320 -0.383731 -0.220807
N 0.294524 -2.270346 -0.206220
C -1.367128 -0.470719 -0.048201
C -1.335873 0.947951 0.140704
C -0.057945 -0.974619 0.008501
C 2.227964 0.145156 0.128420
C -2.588174 -1.206386 -0.265629
C -2.485171 1.721504 0.182593
C -3.767482 1.049325 0.004996
C 3.027287 -0.862796 0.731600
C 2.836259 1.214438 -0.578705
C 4.430103 -0.816010 0.586308
C 4.241176 1.257624 -0.694604
C 5.044060 0.241408 -0.124542
H 0.341901 1.994982 0.945443
H -2.503280 2.803202 0.319938
H -4.636877 -0.824931 -0.360566
H 2.563471 -1.638049 1.351793
H 2.207679 1.979524 -1.044204
H 1.257702 -2.592517 -0.250622
H -0.501135 -2.892208 -0.412745
H 5.044436 -1.594008 1.052035
H 4.709087 2.081839 -1.243585
H 6.133549 0.278814 -0.223633


