%chk=000063374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063374

0 1
 O   0.9672000      -1.717100      -1.576400    
 N   0.1874000     -0.9726000      0.5020000    
 N    1.449300      0.6226000       1.733900    
 C   -1.006500      -1.813600      0.4291000    
 C   -1.836000      -1.423300     -0.8079000    
 C  -0.5634000      -3.276400      0.3992000    
 C   0.4151000     -0.1482000       1.602200    
 C    1.090900      -1.023800     -0.5705000    
 C   -2.655100     -0.1695000     -0.6157000    
 C    2.277200     -0.1516000     -0.4373000    
 C    2.405400      0.6351000      0.7101000    
 C  -0.6050000     -0.1495000       2.715900    
 C   -3.945700     -0.2706000     -0.1211000    
 C   -2.101400       1.059600     -0.9375000    
 C    3.250700     -0.1164000      -1.442100    
 C    3.526400       1.462900      0.8402000    
 C    4.362100      0.7128000      -1.298500    
 C   -4.702400      0.8877000      5.6200001E-02
 C   -2.858100       2.217900     -0.7599000    
 C    4.500400       1.502100     -0.1589000    
 C   -4.158600       2.132000     -0.2630000    
 H   -1.642000      -1.708900       1.309700    
 H   -2.538500      -2.242400      -1.020600    
 H   -1.263000      -1.327100      -1.734100    
 H   0.1243000      -3.496400       1.223400    
 H  -7.7000000E-02  -3.569400     -0.5347000    
 H   -1.435500      -3.930500      0.5144000    
 H  -0.6913000      -1.149000       3.151200    
 H   -1.576400      0.1886000       2.346100    
 H  -0.2916000      0.5362000       3.509900    
 H   -4.377700      -1.234000      0.1339000    
 H   -1.091000       1.138200      -1.327700    
 H    3.161000     -0.7239000      -2.338300    
 H    3.648100       2.084500       1.724200    
 H    5.120400      0.7438000      -2.075600    
 H   -5.714700      0.8210000      0.4440000    
 H   -2.434700       3.186500      -1.008900    
 H    5.366200       2.148200     -4.7300000E-02
 H   -4.747600       3.033800     -0.1244000    


%chk=000063374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063374

0 1
O 0.863224 -1.682581 -1.655703
N 0.117763 -1.053283 0.491900
N 1.299225 0.602848 1.800076
C -1.029979 -2.026414 0.384456
C -2.004806 -1.667659 -0.782994
C -0.522165 -3.483535 0.301871
C 0.287395 -0.241964 1.640223
C 1.034230 -0.980708 -0.609135
C -2.611090 -0.279835 -0.647222
C 2.158236 -0.046947 -0.427183
C 2.255351 0.713764 0.778781
C -0.726053 -0.312070 2.762499
C -3.772697 -0.066876 0.141193
C -2.009523 0.839670 -1.278826
C 3.139872 0.094226 -1.443881
C 3.346205 1.611730 0.950410
C 4.211353 0.982966 -1.262261
C -4.316613 1.227943 0.300382
C -2.549607 2.136365 -1.122671
C 4.312134 1.742179 -0.060069
C -3.703421 2.336018 -0.329833
H -1.598605 -1.918658 1.320634
H -2.802130 -2.435655 -0.758589
H -1.462581 -1.776505 -1.735947
H 0.152236 -3.712185 1.146786
H 0.017624 -3.661175 -0.640608
H -1.383554 -4.174325 0.354830
H -0.785779 -1.317599 3.218761
H -1.737500 -0.025528 2.421280
H -0.398094 0.400892 3.532067
H -4.262992 -0.924239 0.621370
H -1.121031 0.688918 -1.903791
H 3.033193 -0.504751 -2.354111
H 3.400393 2.184811 1.880831
H 4.971828 1.094035 -2.042503
H -5.218399 1.372171 0.906595
H -2.072210 2.988604 -1.619450
H 5.151198 2.433776 0.075101
H -4.123729 3.340876 -0.210069


