%chk=000125770.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125770

1 1
 O   -4.952700      -2.440300       0.000000    
 N   -1.422600       1.751900      3.0000001E-04
 N    4.292500      -1.004900     -3.9999999E-04
 C  -0.4624000     -0.2590000      3.0000001E-04
 C  -0.2065000       1.109900      3.0000001E-04
 C   -1.883500     -0.4289000      9.9999997E-05
 C   0.6317000      -1.149200      1.9999999E-04
 C    1.089600       1.639700      9.9999997E-05
 C   -2.454700      0.8437000      3.0000001E-04
 C    1.945600     -0.6451000       0.000000    
 C    2.174900      0.7467000       0.000000    
 C   -2.737800      -1.551500     -1.9999999E-04
 C    3.048600      -1.500500     -3.0000001E-04
 C   -1.620900       3.188400      3.9999999E-04
 C   0.4039000      -2.633100     -6.9999998E-04
 C    1.324200       3.120400     -1.2000001E-03
 C   -3.838600       1.052700      9.9999997E-05
 C    3.493700       1.217100       0.000000    
 C    4.542400      0.3088000     -9.9999997E-05
 C   -4.123900      -1.358700     -3.0000001E-04
 C   -4.664000     -7.5000003E-02   0.000000    
 C    5.420300      -1.933000      1.0000000E-03
 H   -2.360600      -2.567300     -2.3200000E-02
 H    3.006500      -2.579000     -2.9200001E-02
 H   -2.667800       3.429600      0.1923000    
 H   -1.047700       3.636900      0.8122000    
 H   -1.360300       3.578600     -0.9852000    
 H    1.206300      -3.214600      0.4571000    
 H  -0.4560000      -2.892600      0.6192000    
 H   0.2408000      -2.991900      -1.021300    
 H    1.150000       3.533500      0.9969000    
 H    2.320200       3.436600     -0.3102000    
 H   0.6963000       3.620100     -0.7400000    
 H   -4.280900       2.042400     -4.3000001E-03
 H    3.777100       2.260900      2.3800001E-02
 H    5.578300      0.6265000      1.4000000E-03
 H   -5.742200      6.7500003E-02 -1.1000000E-03
 H    5.224100      -2.723700      0.7309000    
 H    5.510000      -2.348900      -1.006200    
 H    6.342300      -1.415500      0.2789000    
 H   -5.875100      -2.131700       0.000000    


%chk=000125770-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125770

1 1
O -4.919293 -2.542274 -0.050932
N -1.428453 1.828968 0.028168
N 4.358018 -1.053742 0.077569
C -0.441657 -0.265400 -0.025319
C -0.194865 1.182948 -0.024676
C -1.892586 -0.452063 -0.025992
C 0.606955 -1.194477 -0.019702
C 1.113310 1.729586 -0.101934
C -2.468082 0.858390 0.001791
C 1.950465 -0.659723 0.004360
C 2.185873 0.793849 -0.043819
C -2.739067 -1.582813 -0.041190
C 3.073885 -1.514659 0.060248
C -1.722623 3.260333 0.210198
C 0.302363 -2.678355 -0.031841
C 1.393728 3.213380 -0.288741
C -3.859114 1.062492 0.006265
C 3.564232 1.217806 -0.023940
C 4.609600 0.320077 0.037225
C -4.138074 -1.382029 -0.032624
C -4.695499 -0.073935 -0.011380
C 5.513491 -1.989381 0.142902
H -2.372555 -2.609434 -0.060755
H 2.965167 -2.598571 0.096549
H -2.649689 3.357581 0.798010
H -0.921554 3.751969 0.777246
H -1.863091 3.777967 -0.755737
H 1.192519 -3.323574 -0.042376
H -0.294571 -2.961820 0.854377
H -0.294764 -2.941913 -0.923812
H 1.535162 3.744337 0.672109
H 2.304347 3.373852 -0.888442
H 0.581598 3.713843 -0.835283
H -4.303205 2.061531 0.008314
H 3.816148 2.279308 -0.036053
H 5.657589 0.622306 0.063291
H -5.784092 0.058289 -0.013320
H 5.151071 -3.027047 0.176874
H 6.149128 -1.861068 -0.748575
H 6.107055 -1.787773 1.049692
H -5.887771 -2.341262 -0.046848


