%chk=000086160.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086160

0 1
 O   1.4200000E-02  0.1029000     -0.1002000    
 O  -7.5599998E-02   1.843300       1.473200    
 N   -3.691100      0.1712000     -0.2656000    
 C    3.591600      0.1028000      0.1973000    
 C   0.7992000      0.9619000      0.7476000    
 C    2.806100      0.9577000     -0.8065000    
 C    2.645400     -0.7552000       1.048100    
 C    4.612100     -0.7749000     -0.5248000    
 C    1.743900       1.807400     -0.1107000    
 C    1.581700      9.6799999E-02   1.739500    
 C   -1.294200      0.6787000     -9.0200000E-02
 C   -1.381100       1.297400       1.282800    
 C    5.416100      -1.589500      0.5025000    
 C    3.886100      -1.739100      -1.478200    
 C    5.575500      0.1080000      -1.335600    
 C   -2.342700     -0.3804000     -0.3550000    
 C   -4.690300     -0.8792000     -0.4658000    
 C   -3.874500       1.241700      -1.246300    
 C   -4.517000      -1.980900      0.5765000    
 C   -5.274400       1.826400      -1.165600    
 C   -5.531200      -3.096700      0.3769000    
 H    4.121900      0.7871000      0.8754000    
 H    3.465100       1.646100      -1.345000    
 H    2.291600      0.3493000      -1.555400    
 H    2.118900      -1.506100      0.4526000    
 H    3.189500      -1.288400       1.834100    
 H    1.171400       2.355600     -0.8693000    
 H    2.228900       2.569000      0.5137000    
 H    2.053100      0.7367000       2.496500    
 H   0.8940000     -0.5633000       2.283000    
 H   -1.268900       1.448600     -0.8689000    
 H   -1.553600      0.5548000       2.070000    
 H   -2.133100       2.086600       1.362300    
 H    4.821700      -2.377100      0.9763000    
 H    6.261100      -2.095500      1.9900000E-02
 H    5.828400     -0.9463000       1.287900    
 H    3.331800      -1.237700      -2.275300    
 H    3.219600      -2.441800     -0.9723000    
 H    4.629200      -2.364300      -1.991800    
 H    6.002100      0.9059000     -0.7176000    
 H    6.412400     -0.4859000      -1.722700    
 H    5.097900      0.5637000      -2.208700    
 H   -2.152400      -1.156800      0.3912000    
 H   -2.156400     -0.8484000      -1.331300    
 H   -5.706200     -0.4928000     -0.3335000    
 H   -4.624200      -1.303400      -1.476300    
 H   -3.203000       2.080500      -1.041100    
 H   -3.676400      0.8996000      -2.269900    
 H   -4.619400      -1.571400       1.588600    
 H   -3.545100      -2.476100      0.5134000    
 H   -6.028600       1.173200      -1.615200    
 H   -5.563600       2.051500     -0.1332000    
 H   -5.309700       2.768600      -1.724700    
 H   -5.391900      -3.876800       1.132100    
 H   -5.421500      -3.556700     -0.6106000    
 H   -6.554200      -2.717600      0.4678000    


%chk=000086160-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086160

0 1
O -0.010684 0.191443 -0.319363
O -0.196687 1.486172 1.666936
N -3.764810 0.066665 -0.684260
C 3.615715 -0.031480 0.221783
C 0.781392 0.772944 0.809560
C 2.897513 1.103225 -0.562179
C 2.550737 -1.055601 0.707921
C 4.816743 -0.686668 -0.563781
C 1.798962 1.791232 0.283255
C 1.456337 -0.378252 1.567469
C -1.403224 0.700113 -0.206203
C -1.538892 0.988636 1.299204
C 5.543677 -1.713881 0.350964
C 4.347543 -1.411695 -1.854684
C 5.852700 0.407415 -0.950886
C -2.347875 -0.377155 -0.755554
C -4.711910 -1.054475 -0.442680
C -4.153189 0.921961 -1.840653
C -4.726637 -1.535677 1.024121
C -5.314272 1.880795 -1.515272
C -5.715035 -2.701992 1.241678
H 4.066138 0.432465 1.131067
H 3.620823 1.870991 -0.890934
H 2.423543 0.683780 -1.470855
H 2.067555 -1.531829 -0.166938
H 3.021033 -1.859373 1.303328
H 1.264131 2.554234 -0.311428
H 2.248230 2.305198 1.155675
H 1.904293 0.044335 2.488059
H 0.687279 -1.111548 1.872456
H -1.493324 1.643679 -0.783443
H -1.791179 0.064753 1.859282
H -2.260342 1.782003 1.540340
H 4.904352 -2.581693 0.592654
H 6.449766 -2.100764 -0.152670
H 5.859567 -1.244961 1.303054
H 3.835596 -0.721015 -2.549137
H 3.654584 -2.241935 -1.627169
H 5.217749 -1.838959 -2.388631
H 6.145436 1.009800 -0.068943
H 6.768675 -0.060170 -1.359049
H 5.463112 1.096203 -1.721499
H -2.214980 -1.287282 -0.144008
H -2.037036 -0.639648 -1.794797
H -5.728372 -0.702900 -0.700561
H -4.498798 -1.924115 -1.116397
H -3.270986 1.523969 -2.127646
H -4.412483 0.300579 -2.735048
H -4.991649 -0.676581 1.669228
H -3.709675 -1.854926 1.327020
H -6.233074 1.335594 -1.232899
H -5.038974 2.539059 -0.672802
H -5.554833 2.509173 -2.393196
H -5.714333 -3.035603 2.295041
H -5.450959 -3.572621 0.611590
H -6.748769 -2.402916 0.983779


