%chk=000129455.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129455

0 1
 O    1.287100       3.875600      0.6317000    
 O   -3.848200      -1.092900       2.262200    
 O   -5.340000      -1.581600      -2.045900    
 N   0.6466000       2.837600     -2.0400001E-02
 N   -3.603700      0.2563000      0.3473000    
 N    5.091700      -1.275900      6.1000001E-02
 N   -4.755400      -1.659300      0.2013000    
 C    1.465400       1.550600      0.1542000    
 C   0.7013000      0.2641000     -0.3599000    
 C   -1.489300       1.452800      0.1290000    
 C  -0.6769000      0.1667000      0.3121000    
 C  -0.7074000       2.660800      0.6388000    
 C    2.928600       1.690400     -0.3966000    
 C    1.556300     -0.9778000     -0.1485000    
 C    3.666900      0.4113000     -0.2038000    
 C   -2.829400       1.346400      0.8566000    
 C    2.946500     -0.7978000     -0.1044000    
 C   0.4869000       3.235100      -1.462400    
 C    3.835900      -1.843800      5.5100001E-02
 C    1.105000      -2.301500     -5.9200000E-02
 C    4.999800      9.1799997E-02 -9.8899998E-02
 C    3.394400      -3.161200      0.1697000    
 C    2.007000      -3.365400      0.1035000    
 C   -4.029900      0.1935000      -1.041200    
 C   -4.047200     -0.8624000       1.076900    
 C   -4.792100      -1.113500      -1.058100    
 H    1.553600       1.462000       1.249700    
 H   0.5521000      0.3493000      -1.443800    
 H   -1.675900       1.592500     -0.9417000    
 H   -1.226000     -0.6786000     -0.1175000    
 H  -0.5541000     -4.9899999E-02   1.382100    
 H   -1.254500       3.596800      0.4735000    
 H  -0.5033000       2.574500       1.714100    
 H    3.450100       2.508000      0.1131000    
 H    2.915600       1.921900      -1.466900    
 H   -3.415800       2.262000      0.7180000    
 H   -2.677900       1.211900       1.933700    
 H  -0.1911000       4.092900      -1.493300    
 H    1.466400       3.535700      -1.841000    
 H   8.3999999E-02   2.400400      -2.034500    
 H   4.4599999E-02  -2.530400     -0.1172000    
 H    5.893100      0.6998000     -0.1237000    
 H    5.957800      -1.786800      0.1614000    
 H    4.082500      -3.989400      0.2935000    
 H    1.619900      -4.379400      0.1762000    
 H   -3.172700      0.1325000      -1.713900    
 H   -4.687700       1.034800      -1.268600    
 H   -5.192700      -2.537400      0.4563000    


%chk=000129455-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129455

0 1
O 1.351242 3.870916 0.647996
O -3.601220 -1.286021 2.112578
O -6.029868 -1.342029 -1.938667
N 0.689712 2.801180 -0.041829
N -3.705335 0.246252 0.289070
N 5.246347 -1.228112 0.175901
N -4.953360 -1.626141 0.162813
C 1.522336 1.495225 0.123659
C 0.781673 0.227188 -0.422586
C -1.461983 1.385500 0.069323
C -0.624735 0.094278 0.212963
C -0.675909 2.592349 0.619797
C 2.955156 1.719821 -0.427146
C 1.654501 -1.014025 -0.179012
C 3.748989 0.461940 -0.175844
C -2.816812 1.284758 0.819453
C 3.046786 -0.790787 -0.088108
C 0.518159 3.217202 -1.495639
C 3.987041 -1.841398 0.132687
C 1.215897 -2.346045 -0.040475
C 5.098767 0.167885 -0.006156
C 3.548516 -3.179658 0.262232
C 2.155971 -3.403672 0.172203
C -4.419867 0.334292 -0.991337
C -4.022240 -0.914813 0.990676
C -5.254653 -0.964803 -1.030722
H 1.603035 1.408066 1.224359
H 0.665121 0.344038 -1.523561
H -1.677930 1.563994 -1.006331
H -1.166585 -0.753054 -0.246414
H -0.512447 -0.149200 1.288738
H -1.206618 3.551514 0.494461
H -0.440756 2.474010 1.691945
H 3.359522 2.619561 0.067259
H 2.916709 1.924698 -1.516597
H -3.341228 2.261548 0.780181
H -2.638797 1.036365 1.882307
H -0.158394 4.084602 -1.494188
H 1.504448 3.544238 -1.848496
H 0.119848 2.409172 -2.135699
H 0.150314 -2.595748 -0.084960
H 5.967547 0.823427 0.006195
H 6.132451 -1.702681 0.332668
H 4.239263 -4.012785 0.431154
H 1.778808 -4.427669 0.273814
H -3.742190 0.365353 -1.865270
H -5.089498 1.214500 -1.042283
H -5.349838 -2.522235 0.446484


