%chk=000070674.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070674

0 1
 O  -0.7224000     -0.2867000     -1.7000000E-03
 N   -1.694800      -2.301500      3.0000001E-04
 N  -0.3251000      -2.488300      7.9999998E-04
 C   -5.522900     -0.1444000      3.0000001E-04
 C   -5.463700       1.269500       0.000000    
 C   -3.091800     -0.2349000     -6.0000003E-04
 C   -4.327800     -0.8819000      3.0000001E-04
 C    4.253600     -6.3299999E-02   0.000000    
 C    1.574300     -0.8716000     -6.9999998E-04
 C   -4.210900       1.904300     -6.0000003E-04
 C   -3.033600       1.155600     -1.0000000E-03
 C   -1.873000      -1.006800     -8.9999998E-04
 C    5.638900      0.3545000      1.9999999E-04
 C   -6.775600     -0.7794000      1.3000000E-03
 C   0.2017000      -1.286000     -6.9999998E-04
 C   -6.658900       2.007000       0.000000    
 C    3.237100      0.8918000     -1.3000000E-03
 C    3.934800      -1.421300      1.1000000E-03
 C    1.901700      0.4889000     -1.7000000E-03
 C    2.599300      -1.824000      6.0000003E-04
 C   -7.953000     -3.0900000E-02  1.1000000E-03
 C   -7.894800       1.359600      3.9999999E-04
 C    6.307200      0.5549000      -1.207600    
 C    6.306000      0.5570000       1.208300    
 C    7.642600      0.9577000      -1.207400    
 C    7.641400      0.9600000       1.208600    
 C    8.309700       1.160300      6.9999998E-04
 H   -4.373500      -1.970200      7.9999998E-04
 H   -4.141900       2.990200     -8.9999998E-04
 H   -2.090000       1.695400     -1.6000000E-03
 H   -6.845400      -1.865200      1.9000000E-03
 H   -6.637400       3.094900     -5.0000002E-04
 H    3.468700       1.954400     -2.2000000E-03
 H    4.715100      -2.178800      2.2000000E-03
 H    1.137900       1.262800     -2.6000000E-03
 H    2.375100      -2.888300      1.5000000E-03
 H   -8.915500     -0.5342000      1.7000000E-03
 H   -8.811800       1.941600      3.0000001E-04
 H    5.802100      0.4015000      -2.158400    
 H    5.800000      0.4053000       2.158900    
 H    8.163200       1.113800      -2.147800    
 H    8.161000       1.117800       2.149200    
 H    9.349500       1.474000      8.9999998E-04


%chk=000070674-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070674

0 1
O -0.760387 -0.064667 0.000282
N -1.737405 -2.127228 0.001622
N -0.316769 -2.303184 0.001545
C -5.707060 -0.176982 0.000144
C -5.749470 1.273767 -0.000685
C -3.245602 -0.099916 0.000227
C -4.441648 -0.837852 0.000587
C 4.412153 -0.038311 0.000411
C 1.642137 -0.710627 0.000810
C -4.511980 2.000590 -0.001028
C -3.287910 1.338117 -0.000587
C -1.971377 -0.805424 0.000694
C 5.871467 0.314912 0.000116
C -6.941750 -0.909716 0.000497
C 0.233189 -1.079320 0.000985
C -7.022012 1.931650 -0.001131
C 3.419369 0.977012 0.000076
C 3.994518 -1.397015 0.000970
C 2.048918 0.650418 0.000268
C 2.628750 -1.734771 0.001164
C -8.166841 -0.240324 0.000049
C -8.207429 1.191481 -0.000774
C 6.573030 0.482324 -1.222462
C 6.573372 0.483159 1.222383
C 7.947767 0.811462 -1.222531
C 7.948109 0.812297 1.221836
C 8.639591 0.977630 -0.000501
H -4.394147 -1.932456 0.001211
H -4.541824 3.096408 -0.001649
H -2.348395 1.898546 -0.000855
H -6.907152 -2.005424 0.001126
H -7.053269 3.027706 -0.001755
H 3.728853 2.027749 -0.000349
H 4.750613 -2.189460 0.001232
H 1.292374 1.441285 -0.000005
H 2.307260 -2.781099 0.001578
H -9.103907 -0.807360 0.000325
H -9.175594 1.704072 -0.001122
H 6.039103 0.352992 -2.170782
H 6.039714 0.354478 2.170943
H 8.476439 0.937078 -2.174155
H 8.477051 0.938567 2.173223
H 9.705255 1.232537 -0.000737


