%chk=000150477.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150477

0 1
 O   -3.890900       1.815700       1.119100    
 O    1.743400      -1.213400      0.8682000    
 N   -1.450600       2.433900     -0.2450000    
 N    4.644900      -1.103800      0.8162000    
 N    1.745000      0.8892000     -0.1408000    
 N   -3.418100     -0.4346000      0.8136000    
 N    6.824000      8.0799997E-02  -1.694000    
 N   -4.383100      -1.471200      -2.066100    
 N   -5.411800      -3.260600     -0.9206000    
 C   -1.736600       1.276000      0.3665000    
 C   0.4220000       1.255100     -5.3700000E-02
 C  -0.6408000      0.5106000      0.5146000    
 C  -0.1070000       2.440100     -0.5156000    
 C    3.794000     -0.4170000      2.9700000E-02
 C   -3.109700      0.9203000      0.8084000    
 C    2.352200     -0.3030000      0.3104000    
 C   -2.359600       3.509400     -0.5749000    
 C   -4.712600     -0.9343000       1.192300    
 C    4.448100      0.1309000      -1.019300    
 C    5.899100      -1.008000      0.2720000    
 C    5.805900     -0.2450000     -0.8711000    
 C   -5.660600      -1.043200      5.5000000E-03
 C    4.328700      -1.827200       2.028100    
 C   -5.125700      -2.000800      -1.043600    
 H  -0.5929000     -0.4633000      0.9800000    
 H   0.3607000       3.281700      -1.010100    
 H    2.339900       1.585700     -0.5830000    
 H   -4.552900      -1.917900       1.647200    
 H   -5.146000     -0.2760000       1.953000    
 H   -3.217900       3.096800      -1.111100    
 H   -1.848200       4.229900      -1.219100    
 H   -2.666700       4.001300      0.3512000    
 H    4.029800      0.7274000      -1.818900    
 H   -2.724700      -1.112100      0.5118000    
 H    6.750000      -1.487700      0.7382000    
 H   -6.637300      -1.405500      0.3462000    
 H   -5.815000     -6.0199998E-02 -0.4547000    
 H    5.256100      -2.123800       2.525400    
 H    3.758000      -1.173200       2.692300    
 H    3.755000      -2.717700       1.760000    
 H    6.693300      0.6489000      -2.525700    
 H    7.779200     -0.2228000      -1.529700    
 H   -4.179100     -0.4788000      -2.121100    
 H   -4.003400      -2.060700      -2.798900    
 H   -4.987600      -3.772500      -1.701900    


%chk=000150477-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150477

0 1
O -4.378070 2.225521 -0.376399
O 1.154101 -1.157104 0.075734
N -1.493474 3.050110 -0.136619
N 4.066931 -1.612759 0.101924
N 1.596585 1.142901 -0.091432
N -3.760484 0.217409 0.645224
N 6.949635 0.305730 -1.018209
N -2.806218 -2.504992 -0.495360
N -4.561408 -3.703874 0.685078
C -2.017185 1.762924 0.046750
C 0.267277 1.615455 -0.057477
C -0.934654 0.855549 0.094543
C -0.105815 2.969742 -0.191457
C 3.445004 -0.399662 -0.209623
C -3.468023 1.453542 0.086509
C 1.993067 -0.198406 -0.064322
C -2.247749 4.317097 -0.170231
C -5.081331 -0.415509 0.553586
C 4.450703 0.489992 -0.675308
C 5.435313 -1.500142 -0.147972
C 5.703370 -0.200864 -0.638521
C -5.103301 -1.606890 -0.449830
C 3.430716 -2.834137 0.623663
C -4.123374 -2.708907 -0.058206
H -0.968409 -0.226010 0.189936
H 0.505574 3.860718 -0.323164
H 2.337665 1.844477 -0.119351
H -5.388379 -0.781684 1.550208
H -5.791300 0.363306 0.227564
H -3.289121 4.093064 -0.445022
H -1.799768 4.991210 -0.919842
H -2.226861 4.810609 0.818756
H 4.293824 1.499396 -1.057795
H -2.997099 -0.329809 1.047054
H 6.112041 -2.331967 0.037215
H -6.113424 -2.047216 -0.445553
H -4.888680 -1.227827 -1.466716
H 4.224213 -3.524203 0.955702
H 2.770162 -2.594928 1.471060
H 2.814764 -3.318231 -0.151675
H 7.036259 1.254177 -1.365356
H 7.773443 -0.285318 -1.022814
H -2.578897 -1.746272 -1.136828
H -2.069211 -3.176834 -0.283365
H -3.817911 -4.389982 0.938942


