%chk=000050636.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050636

0 1
 O  -0.1698000       1.333700     -1.2800000E-02
 O   -1.673400       2.780500      0.9594000    
 N    2.540000      0.5256000      0.3508000    
 N   -5.209100      -2.359300     -0.4970000    
 C    2.224200       1.753000     -0.3650000    
 C    3.812100     -2.7600000E-02 -0.1024000    
 C    4.122600      -1.321700      0.6517000    
 C    3.052400      -2.412800      0.4576000    
 C   0.8786000       2.278500      0.1672000    
 C    3.343600       2.776800     -0.1259000    
 C    2.141400       1.425300      -1.862200    
 C    3.387100      -3.700700       1.211500    
 C    2.885100      -2.716400      -1.033300    
 C   -1.399300       1.714700      0.4299000    
 C   -2.400000      0.6452000      0.1863000    
 C   -3.470700      0.5249000       1.048100    
 C   -2.227800     -0.1955000     -0.8944000    
 C   -4.410400     -0.4803000      0.8196000    
 C   -3.167500      -1.200700      -1.123000    
 C   -4.259000      -1.343100     -0.2660000    
 H    4.646700      0.6447000      0.1218000    
 H    3.849400     -0.2432000      -1.172100    
 H    2.581600      0.7008000       1.354600    
 H    4.225400      -1.106900       1.723600    
 H    5.098400      -1.699000      0.3191000    
 H    2.090400      -2.055100      0.8453000    
 H   0.6126000       3.204000     -0.3601000    
 H   0.9652000       2.514900       1.236400    
 H    4.271500       2.548400     -0.6606000    
 H    3.028200       3.765300     -0.4826000    
 H    3.573800       2.884800      0.9408000    
 H    1.664000       2.255100      -2.398700    
 H    1.530500      0.5354000      -2.055600    
 H    3.117100       1.288100      -2.339900    
 H    2.595600      -4.446600       1.084300    
 H    4.326300      -4.136200      0.8539000    
 H    3.492200      -3.502900       2.283400    
 H    2.428900      -1.881200      -1.572300    
 H    3.845000      -2.952800      -1.504900    
 H    2.222600      -3.577300      -1.178500    
 H   -3.597500       1.188200       1.898500    
 H   -1.394200     -9.7499996E-02  -1.583400    
 H   -5.256100     -0.5816000       1.495000    
 H   -3.039900      -1.865200      -1.973900    
 H   -6.000500      -2.463100      0.1240000    
 H   -5.099700      -2.985400      -1.283700    


%chk=000050636-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050636

0 1
O -0.072311 1.197782 0.812648
O -1.383894 2.869070 -0.180226
N 2.806993 0.531269 0.383283
N -5.311005 -2.325964 -0.267121
C 2.213140 1.834890 -0.031978
C 3.899561 -0.056785 -0.419049
C 4.289009 -1.445420 0.137404
C 3.147774 -2.497778 0.126947
C 1.052885 2.148758 0.947356
C 3.222961 3.022529 0.081061
C 1.670195 1.739804 -1.477314
C 3.578669 -3.764576 0.902491
C 2.713859 -2.861597 -1.312643
C -1.249294 1.677083 0.206790
C -2.276207 0.617636 0.101375
C -3.553233 0.955554 -0.424233
C -2.031152 -0.726049 0.497261
C -4.560504 -0.011290 -0.547582
C -3.031628 -1.701761 0.376306
C -4.316425 -1.361076 -0.147508
H 4.820441 0.578548 -0.453754
H 3.551900 -0.161679 -1.462726
H 3.050398 0.541175 1.385260
H 4.653029 -1.321013 1.180725
H 5.149651 -1.831738 -0.448097
H 2.277723 -2.039320 0.638425
H 0.675370 3.172355 0.774081
H 1.393950 2.042806 1.994235
H 4.131652 2.809020 -0.509866
H 2.785547 3.963803 -0.300325
H 3.530272 3.185507 1.132656
H 1.039027 2.616291 -1.704974
H 1.058308 0.828732 -1.591697
H 2.491364 1.710077 -2.215229
H 2.764998 -4.513663 0.928173
H 4.458143 -4.240707 0.425130
H 3.852091 -3.523835 1.947636
H 2.317571 -1.983600 -1.853456
H 3.567748 -3.267783 -1.890553
H 1.918255 -3.630002 -1.300271
H -3.731697 1.991661 -0.731043
H -1.046647 -0.987167 0.895596
H -5.541676 0.264718 -0.952654
H -2.830179 -2.735417 0.683140
H -6.226324 -2.088374 -0.638761
H -5.142709 -3.286673 0.017582


