%chk=000055147.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055147

0 1
 O   7.8000002E-02   2.115100     -0.9374000    
 N   -3.854200      0.4310000     -0.2557000    
 N    2.237900      -1.823900     -0.1133000    
 C   -1.371400      0.2740000     -0.3316000    
 C   -1.435000      -1.094400      0.4037000    
 C  -4.8200000E-02   1.032100     -1.6700000E-02
 C  -0.2825000      -2.030500     -3.0500000E-02
 C   -2.794000      -1.760400      0.1667000    
 C   -2.596800       1.139100      2.5900001E-02
 C    1.124200      0.1082000     -7.8699999E-02
 C   0.9911000      -1.265900     -6.5399997E-02
 C   -3.945200     -0.8164000      0.5135000    
 C    2.513900      0.3868000     -0.1209000    
 C    3.176200     -0.8230000     -0.1458000    
 C   -5.001000       1.292700      3.2299999E-02
 C    3.144900       1.722600     -0.1300000    
 C    4.617800      -1.135600     -0.1935000    
 C    3.444100       2.248500       1.277400    
 H   -1.412500      8.3400004E-02  -1.415600    
 H   -1.331400     -0.9029000       1.482400    
 H  -9.5799997E-02   1.462400      0.9908000    
 H  -0.4781000      -2.436600      -1.030500    
 H  -0.2088000      -2.876400      0.6625000    
 H   -2.873800      -2.670000      0.7737000    
 H   -2.882800      -2.070100     -0.8830000    
 H   -2.549500       1.435700       1.082600    
 H   -2.561100       2.059600     -0.5702000    
 H   -4.886300      -1.328800      0.2792000    
 H   -3.945400     -0.6134000       1.592600    
 H    2.436300      -2.815300     -0.1221000    
 H   -5.044300       1.586000       1.087500    
 H   -5.937700      0.7852000     -0.2236000    
 H   -4.961700       2.202300     -0.5774000    
 H   0.1176000       1.743000      -1.835100    
 H    4.085400       1.685600     -0.6940000    
 H    2.519100       2.450600     -0.6549000    
 H    5.151700     -0.6176000      0.6097000    
 H    4.807600      -2.208100     -8.0799997E-02
 H    5.045600     -0.8175000      -1.149700    
 H    2.524200       2.345800       1.863700    
 H    3.918900       3.232900       1.219600    
 H    4.118400       1.574600       1.816400    


%chk=000055147-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055147

0 1
O 0.091303 2.140211 -1.040348
N -3.855130 0.464130 -0.161253
N 2.273208 -1.876167 -0.210802
C -1.368043 0.250205 -0.327698
C -1.430097 -1.138645 0.369776
C -0.032569 1.005468 -0.074810
C -0.301719 -2.075135 -0.144657
C -2.825277 -1.770877 0.156691
C -2.560024 1.128437 0.105351
C 1.149968 0.074015 -0.135950
C 0.996104 -1.317247 -0.170440
C -3.959399 -0.816580 0.575652
C 2.572258 0.371806 -0.147236
C 3.247733 -0.859848 -0.201241
C -5.002541 1.355019 0.094525
C 3.205330 1.744714 -0.071009
C 4.715219 -1.185649 -0.230959
C 3.219697 2.329283 1.367455
H -1.456191 0.077128 -1.422063
H -1.274735 -0.978122 1.459239
H -0.081380 1.541304 0.893806
H -0.575572 -2.440669 -1.158503
H -0.236327 -2.972194 0.505629
H -2.904984 -2.717235 0.728533
H -2.952144 -2.015687 -0.916633
H -2.448091 1.371203 1.198759
H -2.523283 2.083577 -0.449146
H -4.941848 -1.273049 0.350268
H -3.916379 -0.651691 1.687188
H 2.476211 -2.874007 -0.242110
H -5.087111 1.673224 1.165747
H -5.942026 0.844181 -0.184437
H -4.909955 2.265785 -0.523605
H 0.302000 1.742193 -1.924895
H 4.243836 1.705741 -0.454314
H 2.644889 2.440751 -0.722183
H 5.305729 -0.257046 -0.301222
H 5.049481 -1.716430 0.682994
H 4.988730 -1.816503 -1.099960
H 2.190597 2.430002 1.757116
H 3.687170 3.331736 1.382547
H 3.780760 1.673068 2.057998


