%chk=000099722.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099722

0 1
 O    2.788900       1.020100      6.5099999E-02
 O    1.161600       2.919500      0.4643000    
 O    3.152700      -1.659100     -0.2581000    
 N   -3.168700     -0.5283000     -0.3070000    
 C   -2.143600      0.3899000      0.2536000    
 C  -0.7246000     -0.1424000      7.8500003E-02
 C   -2.206300       1.789900     -0.3811000    
 C  -0.5032000      -1.522500     -8.8799998E-02
 C   -2.980500      -1.876300      0.2559000    
 C   -1.660800      -2.473500     -0.2255000    
 C   0.3858000      0.7184000      0.1330000    
 C   -1.211000       2.726500      0.2913000    
 C   0.1957000       2.180600      0.2941000    
 C   0.8040000      -2.016100     -0.2069000    
 C    1.687900      0.2148000      2.4700001E-02
 C   -4.535300     -7.9499997E-02 -1.9900000E-02
 C    1.893300      -1.151700     -0.1435000    
 C    3.257200       1.536600      -1.177900    
 C    3.807000      -2.047000      0.9481000    
 H   -2.309800      0.4869000       1.337100    
 H   -3.198700       2.239100     -0.2747000    
 H   -1.991700       1.730100      -1.456800    
 H   -3.786800      -2.547200     -6.6299997E-02
 H   -3.007000      -1.846600       1.354000    
 H   -1.750200      -2.749800      -1.283900    
 H   -1.459600      -3.389700      0.3426000    
 H   -1.502100       2.914100       1.331000    
 H   -1.206100       3.683000     -0.2431000    
 H   0.9694000      -3.081000     -0.3547000    
 H   -4.774000      0.8446000     -0.5540000    
 H   -4.703100      7.7200003E-02   1.051700    
 H   -5.265600     -0.8164000     -0.3746000    
 H    3.988300       2.322300     -0.9688000    
 H    2.441300       1.965700      -1.768600    
 H    3.750800      0.7453000      -1.750500    
 H    4.802100      -2.421300      0.6929000    
 H    3.249500      -2.846400       1.446500    
 H    3.917300      -1.190300       1.620400    


%chk=000099722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099722

0 1
O 2.839330 0.920096 0.147760
O 1.066472 2.997436 -0.299717
O 3.123985 -1.876435 -0.211710
N -3.230890 -0.524451 -0.318997
C -2.194075 0.369022 0.269886
C -0.775147 -0.184474 0.040694
C -2.313521 1.827650 -0.212251
C -0.587382 -1.579026 -0.141724
C -3.076840 -1.899177 0.219982
C -1.772828 -2.518516 -0.298624
C 0.367354 0.688026 0.053200
C -1.211828 2.675366 0.458833
C 0.172058 2.177179 0.060413
C 0.721157 -2.105985 -0.216173
C 1.684913 0.132057 -0.003777
C -4.609054 -0.023835 -0.118400
C 1.852172 -1.276198 -0.113472
C 3.482930 1.357241 -1.112947
C 4.008786 -1.714786 0.966470
H -2.339155 0.399149 1.391013
H -3.298672 2.245625 0.057103
H -2.218202 1.865086 -1.314228
H -3.937613 -2.506577 -0.112625
H -3.082485 -1.896690 1.341825
H -1.898427 -2.750643 -1.374482
H -1.574792 -3.476519 0.219281
H -1.319066 2.600763 1.561809
H -1.284762 3.740622 0.183432
H 0.882395 -3.182196 -0.345381
H -4.780651 0.897608 -0.697764
H -4.852827 0.184216 0.954980
H -5.319111 -0.783500 -0.488937
H 4.401616 1.878140 -0.802920
H 2.815571 2.059061 -1.639941
H 3.730745 0.480297 -1.740080
H 4.959511 -2.189972 0.680516
H 3.574384 -2.239356 1.839454
H 4.158049 -0.646805 1.197599


