%chk=000096812.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096812

0 1
 O    8.410600      -1.088400      7.0000002E-03
 O    7.510200      0.9962000      4.7100000E-02
 O   -3.140600       3.177600     -3.5999999E-03
 O  -0.9945000       2.715600     -1.4000000E-03
 O   -5.775400      -2.431200      7.0000002E-03
 O   -6.408700     -0.3293000      7.9999998E-04
 N  -0.1176000      0.3885000      4.0000002E-03
 N   -2.194900       2.355300     -1.9000000E-03
 N   -5.509900      -1.204900      3.5999999E-03
 C    3.527300     -0.7286000     -2.7799999E-02
 C    2.307100      0.1959000     -2.7500000E-02
 C    4.859500      2.3700001E-02 -3.1900000E-02
 C   0.9777000     -0.5532000      8.1000002E-03
 C    6.042300     -0.9448000     -1.8800000E-02
 C   -1.451800      1.5500000E-02  3.4000000E-03
 C   -2.494300      0.9640000       0.000000    
 C   -1.798900      -1.349600      6.8000001E-03
 C    7.367100     -0.2181000      1.5100000E-02
 C   -3.830200      0.5625000     -9.9999997E-05
 C   -4.150300     -0.7952000      3.3000000E-03
 C   -3.134600      -1.751400      6.6999998E-03
 H    3.479100      -1.384800     -0.9057000    
 H    3.482900      -1.377700      0.8556000    
 H    2.341500      0.8362000     -0.9185000    
 H    2.366900      0.8690000      0.8376000    
 H    4.917400      0.6685000     -0.9174000    
 H    4.910700      0.6836000      0.8430000    
 H   0.9413000      -1.174400      0.9109000    
 H   0.9198000      -1.209100     -0.8687000    
 H    5.986800      -1.588000      0.8665000    
 H    6.018800      -1.570700     -0.9176000    
 H   0.1182000       1.371500      8.5000005E-03
 H   -1.044400      -2.131800      1.0900000E-02
 H   -4.625200       1.304400     -2.4999999E-03
 H   -3.347100      -2.817400      9.8000001E-03
 H    9.274100     -0.6236000      2.9300001E-02


%chk=000096812-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096812

0 1
O 8.506235 -1.105479 -0.023519
O 7.610632 1.037257 0.008057
O -3.264262 3.233925 -0.010175
O -1.023280 2.832378 -0.005991
O -5.848862 -2.478540 0.006381
O -6.511576 -0.290450 -0.000043
N -0.130245 0.364809 -0.002903
N -2.270014 2.415928 -0.008218
N -5.600227 -1.207078 0.001294
C 3.555067 -0.752823 -0.005002
C 2.336134 0.195343 -0.007026
C 4.894396 0.015715 -0.010161
C 1.002028 -0.575413 -0.000537
C 6.106068 -0.935050 -0.008874
C -1.445995 0.003054 -0.001591
C -2.525508 0.975450 -0.004438
C -1.832142 -1.385173 0.002443
C 7.432950 -0.199699 -0.006568
C -3.878058 0.576453 -0.003541
C -4.190074 -0.788376 0.000259
C -3.166889 -1.777080 0.003358
H 3.506456 -1.419030 -0.891554
H 3.509308 -1.411695 0.887191
H 2.377838 0.849805 -0.900526
H 2.381676 0.858347 0.879997
H 4.946981 0.676305 -0.896474
H 4.950480 0.682929 0.870877
H 0.951236 -1.227437 0.896333
H 0.947507 -1.236000 -0.890840
H 6.089551 -1.603926 0.874193
H 6.091866 -1.605608 -0.890405
H 0.040082 1.385220 -0.005759
H -1.051262 -2.149008 0.004909
H -4.668098 1.331883 -0.005786
H -3.452730 -2.832337 0.006441
H 9.363628 -0.598802 -0.020203


