%chk=000078141.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078141

0 1
 O    3.211000      -2.689700     -1.7000000E-03
 O   -3.211100       2.689900     -9.9999997E-05
 N    3.512800     -0.4542000     -1.0000000E-03
 N   -3.512800      0.4542000      9.9999997E-05
 N    3.956700       1.732100      7.9999998E-04
 N   -3.956700      -1.732100      1.8000000E-03
 C  -0.7000000      9.0599999E-02 -3.9999999E-04
 C   0.6999000     -9.0599999E-02 -6.9999998E-04
 C   -1.550100      -1.044800       0.000000    
 C    1.550100       1.044800     -7.9999998E-04
 C   -1.210900       1.408800     -5.0000002E-04
 C    1.210900      -1.408700     -1.0000000E-03
 C    2.997500      0.8303000     -6.0000003E-04
 C   -2.997600     -0.8304000      5.0000002E-04
 C    2.687300      -1.585700     -1.3000000E-03
 C   -2.687400       1.585800     -3.9999999E-04
 C   -1.011600      -2.337000     -1.9999999E-04
 C    1.011600       2.336900     -6.9999998E-04
 C  -0.3689000       2.521600     -6.0000003E-04
 C   0.3689000      -2.521600     -7.9999998E-04
 C    4.888700     -0.3520000     -6.0000003E-04
 C   -4.888700      0.3519000      1.9999999E-04
 C    5.131800       1.021500      5.0000002E-04
 C   -5.131700      -1.021400      1.4000000E-03
 C    5.925700      -1.293200     -1.9999999E-04
 C   -5.925600       1.293200     -8.9999998E-04
 C    6.456500       1.492100      1.7000000E-03
 C   -6.456400      -1.492300      1.8000000E-03
 C    7.237500     -0.8069000      1.4000000E-03
 C   -7.237600      0.8070000     -6.9999998E-04
 C    7.500800      0.5621000      2.0999999E-03
 C   -7.500900     -0.5621000      6.9999998E-04
 H   -1.658200      -3.211200       0.000000    
 H    1.658300       3.211000     -6.9999998E-04
 H  -0.7679000       3.531800     -6.0000003E-04
 H   0.7679000      -3.531800     -8.9999998E-04
 H    5.736400      -2.360500     -7.9999998E-04
 H   -5.736200       2.360400     -2.0000001E-03
 H    6.669800       2.556500      2.6000000E-03
 H   -6.669600      -2.556600      2.7999999E-03
 H    8.066100      -1.510800      1.8000000E-03
 H   -8.066100       1.511000     -1.6000000E-03
 H    8.529800      0.9121000      3.1999999E-03
 H   -8.529800     -0.9121000      8.9999998E-04


%chk=000078141-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078141

0 1
O 3.268760 -2.802227 0.000060
O -3.268745 2.802234 -0.000419
N 3.516447 -0.476534 0.000047
N -3.516428 0.476536 -0.000121
N 3.976210 1.779686 -0.000056
N -3.976198 -1.779697 -0.000154
C -0.713067 0.090333 0.000168
C 0.713059 -0.090346 0.000183
C -1.566275 -1.068534 0.000233
C 1.566281 1.068528 0.000111
C -1.258270 1.421549 0.000043
C 1.258273 -1.421550 0.000236
C 3.000297 0.855615 0.000150
C -3.000296 -0.855646 0.000137
C 2.728713 -1.661339 0.000166
C -2.728712 1.661329 0.000076
C -1.009785 -2.362711 0.000267
C 1.009791 2.362701 -0.000095
C -0.395473 2.534489 -0.000132
C 0.395473 -2.534500 0.000282
C 4.926981 -0.366187 0.000253
C -4.926975 0.366179 -0.000034
C 5.184443 1.049478 0.000191
C -5.184433 -1.049462 -0.000140
C 5.956315 -1.324480 0.000576
C -5.956303 1.324482 -0.000080
C 6.513981 1.527182 0.000395
C -6.513958 -1.527181 -0.000274
C 7.278943 -0.824553 0.000649
C -7.278931 0.824549 -0.000168
C 7.554200 0.574348 0.000618
C -7.554181 -0.574347 -0.000271
H -1.683314 -3.224781 0.000299
H 1.683316 3.224776 -0.000190
H -0.837087 3.535828 -0.000292
H 0.837091 -3.535837 0.000247
H 5.738804 -2.394495 0.000588
H -5.738798 2.394499 0.000031
H 6.714516 2.602566 0.000281
H -6.714496 -2.602564 -0.000337
H 8.113815 -1.534017 0.000825
H -8.113804 1.534012 -0.000198
H 8.595553 0.914154 0.000703
H -8.595534 -0.914164 -0.000350


