%chk=000019857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019857

0 1
 O   -4.313700     -3.5500001E-02  0.5941000    
 O   -1.590500       2.549800      -1.479200    
 N   -1.991900       1.272000      0.4255000    
 N   -3.601100      -1.755300     -0.7937000    
 N   -4.834500      -2.373200     -0.7986000    
 C  -0.9440000     -0.9903000      0.3411000    
 C   0.4644000     -0.3884000      0.1167000    
 C   -2.022700     -2.2800000E-02 -0.2056000    
 C    1.639200      -1.323900      0.4384000    
 C   -1.177700      -1.346800       1.815500    
 C   -3.435700     -0.5877000     -6.6699997E-02
 C    2.993900     -0.7296000      0.1449000    
 C   -1.777400       2.452800     -0.2692000    
 C    3.557500     -0.9067000      -1.109700    
 C    3.653200     -1.5799999E-02   1.134100    
 C    4.810300     -0.3569000      -1.381400    
 C    4.906000      0.5339000      0.8622000    
 C   -1.819900       3.661300      0.6272000    
 C    5.484500      0.3634000     -0.3956000    
 H  -0.9933000      -1.927800     -0.2273000    
 H   0.5751000      0.5263000      0.7138000    
 H   0.5482000     -7.7900000E-02 -0.9335000    
 H   -1.849000      0.1116000      -1.281500    
 H    1.610900      -1.616000       1.495100    
 H    1.525700      -2.259200     -0.1253000    
 H   -2.186800      -1.736500       1.981500    
 H  -0.4836000      -2.126000       2.145400    
 H   -1.037500     -0.4772000       2.465600    
 H   -2.186000       1.319800       1.421700    
 H    3.039200      -1.464100      -1.884700    
 H    3.209800      0.1245000       2.115800    
 H   -2.863600      -2.161600      -1.360300    
 H    5.260500     -0.4890000      -2.360900    
 H    5.430800       1.095500       1.629500    
 H   -1.414500       4.527300      9.6799999E-02
 H   -2.855100       3.865200      0.9137000    
 H   -1.219900       3.489700       1.525500    
 H    6.459700      0.7918000     -0.6073000    
 H   -4.689100      -3.325700     -0.4667000    
 H   -5.120400      -2.455600      -1.773400    


%chk=000019857-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019857

0 1
O -4.239582 -0.436689 0.804525
O -0.925873 2.286598 -1.287660
N -2.105128 1.204430 0.402065
N -3.653893 -1.809023 -0.977555
N -4.860701 -2.559696 -0.980051
C -0.892227 -1.032925 0.392164
C 0.505667 -0.406247 0.140354
C -2.014773 -0.118557 -0.223569
C 1.676223 -1.398317 0.392314
C -1.144746 -1.320960 1.890382
C -3.400056 -0.783344 -0.084060
C 3.034390 -0.765687 0.122682
C -1.594941 2.340627 -0.208941
C 3.593972 -0.771838 -1.181230
C 3.753952 -0.120070 1.161234
C 4.836214 -0.151116 -1.442127
C 4.996726 0.502908 0.906480
C -1.879839 3.655385 0.509659
C 5.542747 0.489739 -0.397954
H -0.938325 -1.995791 -0.163875
H 0.631436 0.481638 0.789844
H 0.567125 -0.031191 -0.899199
H -1.766264 0.049313 -1.291034
H 1.637837 -1.759007 1.437763
H 1.535331 -2.283402 -0.260339
H -2.139359 -1.768627 2.065648
H -0.388466 -2.017918 2.291269
H -1.086993 -0.384955 2.476440
H -2.781389 1.279716 1.169284
H 3.052568 -1.268582 -1.996559
H 3.338326 -0.110338 2.177054
H -2.994232 -2.037100 -1.723320
H 5.253273 -0.167849 -2.455640
H 5.539541 0.994060 1.722406
H -0.923849 4.109105 0.824549
H -2.354922 4.355746 -0.198180
H -2.528093 3.540323 1.395153
H 6.507052 0.970427 -0.597861
H -4.958135 -3.088696 -0.102090
H -5.669595 -1.936689 -1.116524


