%chk=000036062.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036062

0 1
 O    1.115800      0.1790000     -7.2300002E-02
 N    3.927100      0.4506000     -0.2777000    
 C  -9.9699996E-02  0.1197000      0.6616000    
 C  -0.7886000      -1.197900      0.2919000    
 C  -0.9832000       1.325200      0.3164000    
 C   0.3454000      0.2297000       2.133700    
 C   -1.142200      -1.435400      -1.015900    
 C    1.959200     -0.9260000      0.2252000    
 C   -1.026400      -2.100100       1.304000    
 C    3.235800     -0.7997000     -0.5906000    
 C   -2.348000       1.169800      0.3565000    
 C  -0.3730000       2.510200     -1.8100001E-02
 C   -1.768400      -2.641700      -1.329900    
 C  -0.8805000     -0.4491000      -2.106500    
 C   -1.652400      -3.306300      0.9899000    
 C   -2.023500      -3.577000     -0.3270000    
 C   -3.151500       2.265900      4.2800002E-02
 C   -1.176700       3.606400     -0.3317000    
 C   -2.566000       3.484100     -0.3011000    
 C    4.265000      0.5058000       1.144100    
 C    5.132000      0.5867000      -1.095200    
 H   0.8652000     -0.6332000       2.557300    
 H  -0.5223000      0.4004000       2.785600    
 H    1.011200       1.091200       2.276100    
 H    2.222800      -1.039700       1.276100    
 H    1.507400      -1.870800     -9.5399998E-02
 H  -0.7815000      -1.936300       2.345400    
 H    3.878000      -1.672100     -0.4145000    
 H    2.965200     -0.7952000      -1.654300    
 H   -2.844000      0.2530000      0.6552000    
 H   0.7056000       2.628000     -3.7200000E-02
 H   -2.066700      -2.867500      -2.350300    
 H   -1.629600      0.3454000      -2.128600    
 H   0.1250000     -2.8500000E-02  -2.106500    
 H  -0.9583000     -0.9501000      -3.080800    
 H   -1.856100      -4.033100       1.771000    
 H   -2.512700      -4.515500     -0.5712000    
 H   -4.233300       2.173700      7.4699998E-02
 H  -0.7211000       4.555900     -0.5968000    
 H   -3.191600       4.338400     -0.5428000    
 H    4.910200       1.369500       1.347600    
 H    4.796600     -0.3904000       1.484200    
 H    3.383700      0.6628000       1.771800    
 H    4.878200      0.5741000      -2.161100    
 H    5.855500     -0.2139000     -0.9031000    
 H    5.621900       1.547900     -0.9031000    


%chk=000036062-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036062

0 1
O 1.116880 0.132357 0.051809
N 4.081570 0.548125 -0.169720
C -0.201287 0.022112 0.752082
C -0.915170 -1.289872 0.345451
C -0.986252 1.275199 0.307699
C 0.041810 0.162280 2.279743
C -1.179451 -1.592562 -1.032660
C 2.079994 -0.942889 0.301755
C -1.307102 -2.228138 1.334139
C 3.324617 -0.663955 -0.549135
C -2.393936 1.323726 0.463257
C -0.304864 2.420672 -0.171761
C -1.810267 -2.823396 -1.347211
C -0.834766 -0.648231 -2.172877
C -1.943517 -3.444752 1.002705
C -2.195382 -3.747531 -0.351168
C -3.112473 2.495723 0.137495
C -1.024844 3.591940 -0.499457
C -2.430026 3.636457 -0.345887
C 4.682158 0.478045 1.174414
C 5.068619 0.919616 -1.201745
H 0.608991 -0.686427 2.701589
H -0.912719 0.250389 2.826797
H 0.617143 1.088158 2.447972
H 2.336240 -1.002593 1.379206
H 1.654795 -1.923349 -0.000830
H -1.118277 -2.012432 2.389797
H 3.969246 -1.585361 -0.506751
H 2.997976 -0.544215 -1.599241
H -2.930634 0.439207 0.826871
H 0.781071 2.372367 -0.294884
H -2.006134 -3.054847 -2.401519
H -1.548183 0.196367 -2.212753
H 0.165796 -0.205250 -2.043220
H -0.881130 -1.175495 -3.141868
H -2.235482 -4.144302 1.793921
H -2.683784 -4.687849 -0.630992
H -4.201789 2.517063 0.257980
H -0.487550 4.470652 -0.875071
H -2.986363 4.545805 -0.600761
H 5.221824 1.418999 1.382267
H 5.407094 -0.369986 1.293327
H 3.898451 0.369807 1.943760
H 4.557796 1.061492 -2.171020
H 5.877325 0.155901 -1.346368
H 5.551481 1.874872 -0.927735


