%chk=000044514.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044514

1 1
 O   -4.596400     -0.3345000     -0.9677000    
 N    1.690400       1.762300     -0.1349000    
 C   0.5923000      0.8099000     -0.4225000    
 C    2.993800       1.316600     -0.8138000    
 C  -0.7133000       1.289400      0.1997000    
 C    1.344300       3.168000     -0.6475000    
 C    1.950000       1.857900       1.375700    
 C   -1.891500      0.3437000     -5.1300000E-02
 C    3.438700     -5.2299999E-02 -0.3905000    
 C   -3.190300      0.9126000      0.5295000    
 C    4.279700     -0.1941000      0.7077000    
 C    3.005900      -1.167300      -1.100000    
 C   -4.350100     -2.7000001E-02  0.3153000    
 C    4.693200      -1.466800       1.101500    
 C    3.419400      -2.439900     -0.7061000    
 C    4.263100      -2.589600      0.3947000    
 C   -5.197900     -0.6246000       1.178300    
 C   -6.069300      -1.387100      0.3644000    
 C   -5.662000      -1.177200     -0.9325000    
 H   0.8353000     -0.1675000      4.9999999E-03
 H   0.4908000      0.7139000      -1.510200    
 H    3.765200       2.064600     -0.5888000    
 H    2.820600       1.350500      -1.897500    
 H  -0.6170000       1.406000       1.283900    
 H   -1.004200       2.262400     -0.2089000    
 H    2.246100       3.785200     -0.5813000    
 H    1.019900       3.085700      -1.688900    
 H   0.5687000       3.614500     -2.0600000E-02
 H    2.896800       2.383200       1.534700    
 H    1.151900       2.443500       1.840900    
 H    1.970500      0.8540000       1.807600    
 H   -2.001900      0.1814000      -1.130800    
 H   -1.678300     -0.6353000      0.3962000    
 H   -3.069500       1.097800       1.603700    
 H   -3.426500       1.874100      5.8200002E-02
 H    4.634500      0.6704000       1.261300    
 H    2.355700      -1.065600      -1.964500    
 H    5.352600      -1.583200       1.956700    
 H    3.086200      -3.314200      -1.257600    
 H   -5.209400     -0.5400000       2.255200    
 H    4.586000      -3.580400      0.7006000    
 H   -6.891300      -2.011700      0.6830000    
 H   -6.006800      -1.534700      -1.891700    


%chk=000044514-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044514

1 1
O -4.619187 -0.330833 -1.046341
N 1.751095 1.878345 -0.094796
C 0.516671 0.956066 -0.266181
C 2.979220 1.248606 -0.871049
C -0.801038 1.464859 0.339954
C 1.486442 3.248433 -0.709377
C 2.099517 2.042379 1.377889
C -1.914075 0.412885 0.093545
C 3.408766 -0.121127 -0.402012
C -3.287486 0.878377 0.650321
C 4.401403 -0.257546 0.605909
C 2.883800 -1.291502 -1.013729
C -4.393801 -0.080152 0.330162
C 4.834656 -1.536383 1.017208
C 3.317537 -2.570563 -0.603734
C 4.289061 -2.695085 0.416831
C -5.303251 -0.807366 1.079390
C -6.140310 -1.544488 0.151188
C -5.699568 -1.235478 -1.121320
H 0.801434 -0.011327 0.179964
H 0.402871 0.810946 -1.356096
H 3.788344 1.989982 -0.751890
H 2.659737 1.238291 -1.927455
H -0.705591 1.632581 1.429666
H -1.113855 2.420502 -0.121645
H 2.412843 3.842317 -0.671629
H 1.168643 3.120627 -1.755676
H 0.698103 3.763352 -0.142753
H 3.005192 2.663019 1.462541
H 1.265683 2.536952 1.895619
H 2.284400 1.051801 1.816668
H -2.023306 0.223959 -0.991365
H -1.638895 -0.551097 0.564024
H -3.236405 0.991769 1.748764
H -3.522548 1.879380 0.233177
H 4.857197 0.634519 1.053846
H 2.153835 -1.206653 -1.828500
H 5.605360 -1.629828 1.788762
H 2.912664 -3.465139 -1.087239
H -5.378570 -0.814871 2.165313
H 4.631804 -3.686791 0.728905
H -6.961452 -2.212372 0.402702
H -6.001043 -1.526746 -2.123362


