%chk=000139838.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139838

0 1
 O   0.7171000     -0.8585000      -2.327300    
 O   0.6969000     -0.7672000       2.333600    
 N   0.2100000     -0.9379000      3.5000001E-03
 C   -1.180200      -1.287300      4.3000001E-03
 C    2.319800     -0.4058000     -0.6881000    
 C    2.321400     -0.4089000      0.6926000    
 C   0.9752000     -0.7497000      -1.142000    
 C   0.9744000     -0.7414000       1.148000    
 C   -2.181900     -0.3109000      3.0000001E-04
 C   -1.850200       1.101100     -4.6999999E-03
 C   -1.537700      -2.639400      9.2000002E-03
 C    3.456500     -0.1209000      -1.418800    
 C    3.458600     -0.1225000       1.421900    
 C   -3.526300     -0.6829000      8.9999998E-04
 C   -2.882000      -3.011400      9.6000005E-03
 C    4.620900      0.1710000     -0.7034000    
 C    4.622000      0.1703000      0.7052000    
 C   -3.876300      -2.033300      5.5000000E-03
 C   -1.692200       1.781000       1.201100    
 C   -1.690200       1.772400      -1.215000    
 C   -1.372900       3.138800       1.196600    
 C   -1.370700       3.130100      -1.219400    
 C   -1.212100       3.813300     -1.3600000E-02
 H  -0.7725000      -3.411900      1.2400000E-02
 H    3.456200     -0.1212000      -2.502700    
 H    3.459300     -0.1220000       2.505700    
 H   -4.315600      6.5399997E-02 -2.3000001E-03
 H   -3.154600      -4.062700      1.3200000E-02
 H    5.538400      0.4015000      -1.238500    
 H    5.540000      0.4011000       1.239200    
 H   -4.923000      -2.323100      6.0000001E-03
 H   -1.813400       1.269600       2.153000    
 H   -1.809600       1.254300      -2.163500    
 H   -1.248700       3.670600       2.135400    
 H   -1.244800       3.655400      -2.161600    
 H  -0.9629000       4.870300     -1.7200001E-02


%chk=000139838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139838

0 1
O 0.531907 -0.892761 -2.356763
O 0.529852 -0.877795 2.366199
N 0.185302 -1.008397 0.004966
C -1.213048 -1.364086 0.005353
C 2.325911 -0.409031 -0.703400
C 2.325304 -0.404653 0.711371
C 0.957429 -0.784758 -1.183231
C 0.956297 -0.776979 1.192343
C -2.196570 -0.339432 0.000079
C -1.813155 1.112257 -0.005895
C -1.573070 -2.728783 0.010560
C 3.479091 -0.090370 -1.436261
C 3.477859 -0.081519 1.443249
C -3.559867 -0.727735 0.000142
C -2.935330 -3.096140 0.010586
C 4.650969 0.236994 -0.706258
C 4.650380 0.241287 0.712257
C -3.929369 -2.091253 0.005327
C -1.636672 1.814010 1.214908
C -1.646964 1.806108 -1.232623
C -1.309701 3.188994 1.207939
C -1.319986 3.181091 -1.237375
C -1.153192 3.877260 -0.017636
H -0.785740 -3.489575 0.014445
H 3.465781 -0.095764 -2.530590
H 3.463574 -0.080078 2.537579
H -4.329748 0.051323 -0.003932
H -3.217350 -4.154273 0.014601
H 5.570938 0.491496 -1.243427
H 5.569872 0.499149 1.248641
H -4.989319 -2.368143 0.005248
H -1.746499 1.277248 2.163994
H -1.764471 1.263132 -2.177227
H -1.176125 3.719404 2.157452
H -1.194341 3.705330 -2.191388
H -0.901050 4.943742 -0.022133


