%chk=000074258.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074258

0 1
 O    1.912400      0.6551000      -1.566500    
 O   0.1694000       3.776600     -0.8563000    
 O   -6.039300      -2.318300     -0.9649000    
 O   -6.897900     -0.6080000      0.1107000    
 N    2.781300      0.2279000      0.5726000    
 N  -0.3509000       1.321200      3.0600000E-02
 N  -0.7482000      0.5548000      0.9321000    
 N   -5.908900      -1.265900     -0.2940000    
 C   0.9966000       1.825200      0.3078000    
 C    1.944800      0.8410000     -0.3526000    
 C    3.784800     -0.7382000      0.3194000    
 C    1.095200       3.231200     -0.2561000    
 C   -2.041100      9.7900003E-02  0.6262000    
 C    4.520700      -1.243500       1.377900    
 C    4.007500      -1.157400     -0.9814000    
 C    2.400800       3.953000     -3.3799998E-02
 C   -2.204200      -1.067800     -0.1162000    
 C   -3.149700      0.8151000       1.066200    
 C   -4.602300     -0.8058000      1.7300000E-02
 C    5.508600      -2.196100       1.128300    
 C    4.995300      -2.110100      -1.231000    
 C   -3.487700      -1.520700     -0.4214000    
 C   -4.433300      0.3620000      0.7611000    
 C    5.745900      -2.629400     -0.1760000    
 H    1.168800       1.906100       1.388800    
 H    2.677500      0.4879000       1.550800    
 H    4.343800     -0.9130000       2.397600    
 H    3.472300     -0.8040000      -1.849900    
 H    2.318900       4.980900     -0.3983000    
 H    3.201600       3.448100     -0.5792000    
 H    2.628900       3.978800       1.034700    
 H   -1.340900      -1.630600     -0.4613000    
 H   -3.026600       1.725700       1.646500    
 H    6.093000      -2.600600       1.949600    
 H    5.181500      -2.448300      -2.246200    
 H   -3.581100      -2.434300      -1.002900    
 H   -5.278000      0.9448000       1.119300    
 H    6.515200      -3.371000     -0.3704000    


%chk=000074258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074258

0 1
O 3.467663 1.812584 -0.851951
O 1.880975 4.773829 0.435435
O -5.905983 -1.510987 -1.342126
O -5.743805 -2.501305 0.707977
N 2.499830 0.282944 0.660919
N 0.081374 1.810413 -0.078678
N -0.374294 0.976727 0.815851
N -5.305340 -1.716651 -0.218316
C 1.364014 2.422909 0.345958
C 2.569023 1.470603 -0.034758
C 3.404567 -0.820875 0.624789
C 1.548644 3.815272 -0.303738
C -1.617642 0.339802 0.475960
C 3.069337 -1.955364 1.411202
C 4.598520 -0.815824 -0.142772
C 1.335390 3.927398 -1.792661
C -2.314279 0.535863 -0.750363
C -2.138880 -0.532219 1.467191
C -4.024182 -1.002873 0.024815
C 3.919736 -3.078593 1.430197
C 5.438780 -1.949920 -0.112378
C -3.523249 -0.138457 -0.978408
C -3.350950 -1.211623 1.247846
C 5.110991 -3.082508 0.667230
H 1.398114 2.543540 1.448018
H 1.657651 0.163381 1.242960
H 2.146409 -1.956367 2.005504
H 4.854341 0.058393 -0.744354
H 1.361340 4.981777 -2.105152
H 0.379781 3.454161 -2.079344
H 2.143801 3.367953 -2.301496
H -1.891984 1.211225 -1.499504
H -1.583308 -0.654836 2.401979
H 3.652434 -3.948396 2.039849
H 6.359939 -1.943608 -0.705328
H -4.086902 -0.016017 -1.906909
H -3.779917 -1.887333 1.991708
H 5.772757 -3.954719 0.681948


