%chk=000060185.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060185

0 1
 O    2.060300      -1.682500     -0.6797000    
 O  -0.9426000      -2.318900      0.9015000    
 O   0.4374000      0.4784000      -1.328200    
 O   -4.173800       2.095100      0.2256000    
 N    3.550500       3.469700      0.7949000    
 C   0.8270000      -3.641800     -1.6600000E-02
 C    1.884100      -2.620600      0.3734000    
 C  -0.5227000      -2.993300     -0.2764000    
 C    2.419000     -0.4095000     -0.3200000    
 C    1.602400      0.6673000     -0.6479000    
 C   -1.746100      -1.221100      0.7328000    
 C    3.607400     -0.2110000      0.3747000    
 C    1.978700       1.958200     -0.2765000    
 C    3.169400       2.164400      0.4201000    
 C    3.983800       1.079900      0.7457000    
 C   -2.601800      -1.156300     -0.3606000    
 C   -1.696600     -0.1846000       1.657600    
 C   -3.375800       1.005100      0.3921000    
 C   -3.419400     -3.9200000E-02 -0.5317000    
 C   -2.514300      0.9324000       1.486700    
 C   0.5036000      0.5239000      -2.752100    
 C   -5.030600       2.104400     -0.9153000    
 H    1.141100      -4.173500     -0.9221000    
 H   0.7349000      -4.375100      0.7929000    
 H    2.836800      -3.136100      0.5411000    
 H    1.602600      -2.122200       1.310100    
 H   -1.255500      -3.770400     -0.5226000    
 H  -0.4242000      -2.316000      -1.133900    
 H    4.254800      -1.045900      0.6271000    
 H    1.339300       2.800100     -0.5318000    
 H    4.915100       1.227800       1.286600    
 H   -2.686300      -1.960100      -1.085500    
 H   -1.025600     -0.2369000       2.510200    
 H   -4.069000     -4.9800001E-02  -1.400300    
 H   -2.475000       1.743200       2.209100    
 H    4.413200       3.619400       1.300900    
 H    2.960100       4.256500      0.5602000    
 H   0.8485000       1.506600      -3.089000    
 H    1.167400     -0.2591000      -3.131900    
 H  -0.5016000      0.3515000      -3.146400    
 H   -5.591300       3.044500     -0.8908000    
 H   -5.765100       1.292900     -0.8734000    
 H   -4.457800       2.098200      -1.848800    


%chk=000060185-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060185

0 1
O 1.984680 -1.085587 -0.781691
O -1.315995 -1.776592 0.855010
O 2.463314 0.847347 -2.813032
O -6.131342 1.108359 1.380172
N 5.423857 3.344625 0.100868
C 0.538471 -2.913342 -0.175333
C 1.630679 -1.972744 0.340430
C -0.781822 -2.191531 -0.455326
C 2.881964 -0.025376 -0.511183
C 3.112510 0.913891 -1.561143
C -2.525901 -1.056378 0.867828
C 3.537027 0.170641 0.725343
C 3.954989 2.021155 -1.348637
C 4.596404 2.231760 -0.096201
C 4.381932 1.281287 0.937791
C -3.264825 -0.700794 -0.282725
C -3.001147 -0.685415 2.152839
C -4.945244 0.390674 1.129153
C -4.476039 0.023867 -0.152311
C -4.199789 0.031494 2.282646
C 2.643263 -0.397616 -3.585332
C -6.924264 1.512777 0.220215
H 0.889739 -3.399657 -1.105069
H 0.362547 -3.706980 0.574917
H 2.525362 -2.544918 0.661455
H 1.254910 -1.372806 1.192529
H -1.506093 -2.868854 -0.952884
H -0.610445 -1.302441 -1.093955
H 3.383692 -0.533989 1.548193
H 4.093196 2.718759 -2.181948
H 4.867913 1.411810 1.911781
H -2.916197 -0.969995 -1.283848
H -2.415532 -0.968070 3.032945
H -5.030788 0.291531 -1.056617
H -4.579034 0.326284 3.265701
H 5.881250 3.499701 0.993450
H 5.553485 4.032223 -0.634187
H 3.715038 -0.555868 -3.817540
H 2.246000 -1.266652 -3.034533
H 2.080205 -0.239703 -4.518439
H -7.788245 2.053362 0.634526
H -7.277102 0.634213 -0.356014
H -6.350327 2.185146 -0.448045


