%chk=000070547.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070547

0 1
 O    3.757800     -0.5239000     -0.7801000    
 N   -2.389200       1.608600      0.5516000    
 N    2.211800      0.3181000      0.7445000    
 C  -0.3695000       1.405500     -0.3465000    
 C   0.9758000       1.733900     -0.8604000    
 C  -0.9761000      0.1186000     -0.3202000    
 C   -2.242400      0.2738000      0.2478000    
 C    2.090900       1.642700      0.1970000    
 C   -1.262700       2.300500      0.1961000    
 C  -0.5681000      -1.167500     -0.7265000    
 C   -3.124600     -0.7970000      0.4308000    
 C   -1.440100      -2.248000     -0.5498000    
 C   -2.698200      -2.063300      2.0199999E-02
 C    3.039200     -0.6581000      0.2070000    
 C    2.995100      -1.944000      0.9883000    
 H   0.9716000       2.752500      -1.269200    
 H    1.220700       1.073400      -1.702100    
 H    3.046300       1.935100     -0.2521000    
 H    1.884500       2.321000       1.032200    
 H   -1.199100       3.366900      0.3624000    
 H   -3.210100       2.017500      0.9759000    
 H   0.4052000      -1.331000      -1.179300    
 H   -4.104200     -0.6542000      0.8744000    
 H    1.660600      9.7499996E-02   1.569000    
 H   -1.131300      -3.241900     -0.8626000    
 H   -3.359500      -2.916500      0.1478000    
 H    3.348900      -2.766000      0.3598000    
 H    3.640100      -1.855100       1.866500    
 H    1.973700      -2.168300       1.308900    


%chk=000070547-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070547

0 1
O 4.401890 -0.124324 -0.051459
N -2.484138 1.668010 0.591816
N 2.183263 0.189928 0.593704
C -0.428247 1.442574 -0.396335
C 0.947206 1.760990 -0.936546
C -1.066305 0.133777 -0.331857
C -2.353526 0.307364 0.294157
C 2.088127 1.571688 0.104522
C -1.327947 2.345525 0.173518
C -0.683583 -1.168301 -0.759746
C -3.244299 -0.768082 0.508746
C -1.568816 -2.243417 -0.550472
C -2.834047 -2.046632 0.080292
C 3.335166 -0.573479 0.471299
C 3.236694 -1.994153 1.026464
H 0.983417 2.812515 -1.280587
H 1.168556 1.127706 -1.816429
H 3.067535 1.809188 -0.346807
H 1.920866 2.261147 0.955986
H -1.232064 3.422367 0.303956
H -3.295534 2.101463 1.026383
H 0.279499 -1.330742 -1.257013
H -4.219669 -0.621203 0.986285
H 1.344681 -0.232337 0.997726
H -1.288575 -3.249812 -0.880822
H -3.499774 -2.904042 0.228854
H 3.643259 -2.697880 0.281074
H 3.867349 -2.074500 1.929802
H 2.206118 -2.294538 1.284889


