%chk=000052289.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052289

1 1
 O   -1.994300      -1.365600      6.6799998E-02
 O    2.680400      -3.529000      0.1267000    
 N   -2.003800      0.8954000     -0.1570000    
 N    2.279400      -1.192200      4.8700001E-02
 C   -3.312800      0.4663000     -0.1290000    
 C   -1.285600     -0.1990000     -4.0800001E-02
 C   -1.545800       2.248100     -0.2825000    
 C   -3.305300     -0.9234000      8.5000005E-03
 C   -4.509800       1.173800     -0.2122000    
 C   0.1275000     -0.1697000     -2.7799999E-02
 C   -4.461200      -1.690200      7.1699999E-02
 C   -1.383800       2.904700       1.075300    
 C   -5.690500      0.4194000     -0.1506000    
 C   -5.665200     -0.9779000     -1.2000000E-02
 C   0.9183000      -1.262100      5.2700002E-02
 C    2.957700      0.1017000     -3.3300001E-02
 C    3.091800      -2.365200      8.7099999E-02
 C    3.249000      0.7348000       1.137200    
 C    3.250600      0.5817000      -1.274000    
 C    3.895900       1.968100       1.059400    
 C    3.897700       1.815000      -1.351700    
 C    4.589800      -2.142500      0.1216000    
 C    4.220300       2.508100     -0.1850000    
 H  -0.6182000       2.304500     -0.8601000    
 H   -2.277700       2.816500     -0.8691000    
 H   -4.548800       2.252000     -0.3164000    
 H   0.5886000      0.8083000     -7.3299997E-02
 H   -4.437500      -2.767400      0.1786000    
 H   -2.327900       2.899600       1.629500    
 H   -1.059700       3.943500      0.9606000    
 H  -0.6394000       2.379000       1.681500    
 H   -6.649400      0.9291000     -0.2108000    
 H   -6.606000      -1.522200      3.1700000E-02
 H   0.4906000      -2.258200      0.1080000    
 H    2.997000      0.3147000       2.105300    
 H    3.000000      4.2599998E-02  -2.181500    
 H    4.147000       2.507800       1.967800    
 H    4.150300       2.235600      -2.320800    
 H    5.093000      -3.114300      0.1684000    
 H    4.880400      -1.579100       1.011200    
 H    4.932000      -1.641100     -0.7864000    
 H    4.724000       3.468300     -0.2456000    


%chk=000052289-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052289

1 1
O -1.890345 -1.204995 0.004790
O 2.252865 -3.458123 0.187644
N -2.132477 1.033137 -0.177975
N 2.332749 -1.118338 0.021681
C -3.446319 0.486094 -0.129243
C -1.221094 0.012190 -0.085500
C -1.819878 2.483639 -0.243300
C -3.289067 -0.914490 -0.022162
C -4.725797 1.067944 -0.177487
C 0.194599 0.079640 -0.077312
C -4.352765 -1.814395 0.041277
C -1.758934 3.133963 1.152782
C -5.822498 0.176315 -0.114641
C -5.643021 -1.230376 -0.007867
C 0.959974 -1.076624 0.007058
C 3.123723 0.105832 -0.058961
C 2.977077 -2.441928 0.122456
C 3.481991 0.781444 1.130365
C 3.512685 0.599195 -1.325583
C 4.253353 1.962950 1.047185
C 4.284095 1.781260 -1.398238
C 4.485038 -2.447441 0.138091
C 4.655955 2.461529 -0.214462
H -0.865576 2.605371 -0.782936
H -2.600907 2.953543 -0.865088
H -4.880229 2.147404 -0.257142
H 0.665644 1.063547 -0.135784
H -4.200942 -2.892963 0.122248
H -2.715572 3.025061 1.691437
H -1.549678 4.212098 1.045257
H -0.959949 2.690335 1.771485
H -6.838262 0.581101 -0.148233
H -6.521801 -1.880013 0.037706
H 0.489784 -2.066075 0.071688
H 3.169475 0.384344 2.102511
H 3.222819 0.063042 -2.235996
H 4.543948 2.486881 1.963324
H 4.598097 2.164979 -2.374155
H 4.826858 -3.488811 0.217848
H 4.882476 -1.865488 0.988375
H 4.900331 -1.995660 -0.780074
H 5.260174 3.372381 -0.274665


