%chk=000037173.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037173

0 1
 O    1.831500       2.720000     -0.6697000    
 O    1.295600       1.115700      -2.275000    
 O   -2.951200     -0.1015000     -0.9773000    
 O   -4.649500     -0.3512000      0.5567000    
 N    1.922200     -0.8392000     -0.1732000    
 N    1.510000      0.9282000       1.390200    
 N  -0.6903000      0.3868000       1.504000    
 N  -5.1500000E-02  -2.163300     -9.0400003E-02
 N    2.038800      -3.112000      0.3052000    
 N   0.4965000       1.019700       3.481400    
 N   -4.729200       1.295100      -1.046500    
 C    1.275000      0.4527000      4.5600001E-02
 C  -0.2648000      0.3279000      5.9599999E-02
 C    1.921400       1.349800      -1.016800    
 C    3.366700      0.8371000      -1.019300    
 C    3.219400     -0.6773000     -0.8270000    
 C  -0.7592000     -0.9690000     -0.5905000    
 C    1.243800      -2.033500      7.9999998E-04
 C   0.3845000      0.7779000       2.145000    
 C   -2.257200      -1.191700     -0.3996000    
 C   -4.152500      0.2278000     -0.4034000    
 H  -0.7241000       1.195000     -0.4324000    
 H    3.934900       1.274500     -0.1892000    
 H    3.904300       1.069500      -1.944100    
 H    3.212900      -1.185600      -1.797500    
 H    4.037400      -1.075700     -0.2193000    
 H  -0.5725000     -0.8949000      -1.671100    
 H    2.437600       1.090600       1.763200    
 H   -2.491000      -1.325800      0.6635000    
 H   -2.565100      -2.106700     -0.9197000    
 H   0.9902000       2.861000     -0.2045000    
 H    1.940800       1.317900      -2.973000    
 H    3.042400      -3.024500      0.4168000    
 H    1.635400      -4.030200      0.4561000    
 H  -0.2977000      0.9166000       4.103700    
 H    1.374800       1.315800       3.892900    
 H   -4.278000       1.741700      -1.837600    
 H   -5.623900       1.670100     -0.7499000    


%chk=000037173-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037173

0 1
O 2.072833 2.739319 -0.527694
O 1.345651 1.323707 -2.253862
O -2.923397 -0.035039 -0.907869
O -4.950488 -0.740705 0.070860
N 2.042171 -0.857180 -0.122374
N 1.682809 1.002869 1.469916
N -0.625318 0.661978 1.506192
N -0.018373 -2.124987 0.052510
N 2.064211 -3.192985 0.258675
N 0.481741 1.188011 3.564847
N -4.832793 1.105952 -1.373391
C 1.392887 0.439043 0.096520
C -0.190326 0.413253 0.105436
C 2.057509 1.373383 -0.992382
C 3.441722 0.734422 -1.230407
C 3.183914 -0.780585 -1.092459
C -0.723478 -0.927749 -0.471242
C 1.291912 -2.047401 0.069533
C 0.447271 0.941448 2.203883
C -2.213483 -1.122508 -0.180549
C -4.303322 0.042720 -0.666999
H -0.583588 1.235003 -0.523097
H 4.138473 1.098794 -0.455216
H 3.832179 1.012514 -2.220227
H 2.890152 -1.224365 -2.062286
H 4.071444 -1.320901 -0.717252
H -0.584367 -0.871067 -1.573667
H 2.513631 0.597658 1.921769
H -2.421899 -1.040559 0.897897
H -2.556185 -2.100985 -0.556400
H 1.970346 2.665163 0.472769
H 0.630821 2.010313 -2.219848
H 2.990104 -3.126907 0.675245
H 1.553251 -4.071228 0.329050
H -0.400770 1.130088 4.067729
H 1.255751 1.693929 3.986338
H -4.235153 1.698601 -1.943204
H -5.829443 1.286283 -1.301049


