%chk=000063752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063752

0 1
 O    2.815100      6.1799999E-02  -1.531500    
 O   -2.515000      -2.520700      0.1948000    
 N   0.9707000     -0.3409000     -0.1340000    
 N   -1.492800     -0.4144000      0.1538000    
 N    3.650200       2.072800     -0.1214000    
 C  -0.2382000      0.2901000      0.4078000    
 C    1.004800      -1.769700     -5.6400001E-02
 C  -0.1865000      -2.488600      0.1290000    
 C    2.237000       1.785600     -2.5100000E-02
 C    2.045200      0.4147000     -0.6348000    
 C   -1.510300      -1.813800      0.1554000    
 C   -2.711800      0.3567000      8.9800000E-02
 C    4.443100       1.073800      0.6062000    
 C    3.952100       3.415800      0.3904000    
 C    2.210100      -2.492300     -0.1121000    
 C  -0.1618000      -3.890900      0.2353000    
 C    2.228100      -3.885400     -5.2000000E-03
 C   -3.822100     -0.1599000     -0.5713000    
 C   -2.768300       1.611200      0.6896000    
 C    1.042400      -4.585000      0.1668000    
 C    5.929200       1.373700      0.5064000    
 C    3.207800       4.482700     -0.3945000    
 C   -4.999800      0.5849000     -0.6332000    
 C   -3.946100       2.356000      0.6277000    
 C   -5.061900       1.842700     -3.3900000E-02
 C   -6.321200       2.639000     -9.9600002E-02
 H  -0.2979000       1.290600     -3.1099999E-02
 H  -0.1049000      0.3763000       1.493300    
 H    1.886300       1.807000       1.012600    
 H    1.625500       2.464400     -0.6276000    
 H    4.156800       1.037100       1.665800    
 H    4.320700      6.0699999E-02  0.2166000    
 H    3.717400       3.507700       1.458300    
 H    5.011400       3.657500      0.2604000    
 H    3.167300      -1.990700     -0.2169000    
 H   -1.075300      -4.465100      0.3688000    
 H    3.173000      -4.419300     -4.9899999E-02
 H   -3.805600      -1.106700      -1.100400    
 H   -1.934000       2.036400       1.239100    
 H    1.053700      -5.667400      0.2505000    
 H    6.234500       1.586500     -0.5239000    
 H    6.237600       2.201000       1.153200    
 H    6.500200      0.4985000      0.8379000    
 H    3.327800       4.348300      -1.475000    
 H    2.140000       4.506900     -0.1567000    
 H    3.607200       5.471400     -0.1416000    
 H   -5.859400      0.1793000      -1.160400    
 H   -3.985300       3.331400       1.105400    
 H   -6.877100       2.424100      -1.018600    
 H   -6.958600       2.405100      0.7588000    
 H   -6.109800       3.713700     -9.7499996E-02


%chk=000063752-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063752

0 1
O 3.250739 -0.556700 -0.345870
O -2.469274 -2.378935 -0.795523
N 1.143739 -0.963807 0.573085
N -1.270445 -0.716498 0.367828
N 3.168252 2.212749 0.152262
C -0.089562 -0.508590 1.240276
C 1.085018 -2.355221 0.218521
C -0.211266 -2.884433 -0.064803
C 2.054890 1.380389 0.609775
C 2.220705 -0.110832 0.225232
C -1.418537 -2.003166 -0.194046
C -2.266098 0.316529 0.253124
C 4.431829 1.994015 0.908666
C 2.798309 3.645927 0.015737
C 2.221417 -3.198244 0.162745
C -0.354194 -4.260713 -0.366096
C 2.054867 -4.566720 -0.136555
C -2.986940 0.498857 -0.956535
C -2.523408 1.185998 1.343023
C 0.770333 -5.106070 -0.393353
C 5.683079 2.295739 0.064168
C 1.892285 3.929837 -1.198240
C -3.931374 1.536642 -1.061892
C -3.466423 2.230020 1.216162
C -4.189435 2.426747 0.015114
C -5.215620 3.537662 -0.120371
H -0.022060 0.555274 1.490588
H -0.205362 -1.088771 2.178306
H 1.896782 1.442124 1.722669
H 1.125724 1.755915 0.141848
H 4.443991 2.600653 1.850358
H 4.467394 0.931399 1.201213
H 2.317607 4.039664 0.949309
H 3.737811 4.212695 -0.110874
H 3.213373 -2.783566 0.342759
H -1.357741 -4.628037 -0.603290
H 2.936750 -5.216071 -0.167177
H -2.815090 -0.178115 -1.795490
H -2.021349 1.038050 2.306122
H 0.654966 -6.169919 -0.624374
H 5.689188 1.643449 -0.824975
H 5.715309 3.346948 -0.276150
H 6.600122 2.107063 0.653292
H 2.377498 3.570414 -2.121775
H 0.906056 3.435932 -1.117417
H 1.707368 5.016180 -1.291670
H -4.478185 1.662027 -2.004480
H -3.650705 2.889921 2.072155
H -4.990819 4.190945 -0.984159
H -6.230804 3.127623 -0.280437
H -5.249210 4.171622 0.782313


