%chk=000076317.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076317

0 1
 O   -1.055000     -6.1200000E-02 -8.3800003E-02
 O    5.828300      0.4076000       1.104700    
 O    5.865600      0.2777000      -1.086300    
 N   -3.082500       1.110700     -0.1882000    
 N   -3.031700      -1.247500     -4.7400001E-02
 N    5.258600      0.1892000      8.2999999E-03
 C   -2.410400       2.388400     -0.2513000    
 C   -4.489300      -1.230300     -7.3700003E-02
 C   -2.426500     -0.1017000     -0.1048000    
 C   -2.178600       2.904000       1.162800    
 C   -3.248100       3.364000      -1.067500    
 C  -0.2566000      -1.254700      3.9999999E-04
 C    1.194800     -0.8739000      2.7000001E-03
 C   -4.986000      -2.498900     -0.7514000    
 C   -5.007900      -1.112400       1.351700    
 C    1.840000     -0.6279000       1.209100    
 C    1.881000     -0.7713000      -1.202200    
 C    3.189400     -0.2744000       1.211000    
 C    3.230400     -0.4179000      -1.200500    
 C    3.884700     -0.1696000      6.3000000E-03
 H   -1.443000       2.288000     -0.7579000    
 H   -4.088800       1.165100     -7.7699997E-02
 H   -4.901100     -0.4207000     -0.6857000    
 H   -1.674200       3.875700       1.145800    
 H   -3.123900       3.021000       1.705000    
 H   -1.553800       2.211000       1.736700    
 H   -3.411000       2.982600      -2.081600    
 H   -2.749000       4.335500      -1.147200    
 H   -4.232700       3.524600     -0.6137000    
 H  -0.4825000      -1.903700     -0.8541000    
 H  -0.5127000      -1.798900      0.9172000    
 H   -6.080000      -2.522800     -0.7894000    
 H   -4.607700      -2.563700      -1.777500    
 H   -4.643800      -3.393200     -0.2185000    
 H   -6.102700      -1.123700       1.369600    
 H   -4.674900     -0.1833000       1.825600    
 H   -4.651200      -1.942300       1.972000    
 H    1.307000     -0.7048000       2.152800    
 H    1.380000     -0.9606000      -2.147600    
 H    3.666200     -8.7800004E-02   2.169800    
 H    3.739800     -0.3453000      -2.158000    


%chk=000076317-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076317

0 1
O -1.107350 0.109260 -0.144214
O 6.157388 -0.915900 0.388843
O 5.711750 1.317251 0.258652
N -3.134162 1.140973 -0.475749
N -3.026807 -1.214309 0.145845
N 5.338625 0.080710 0.303257
C -2.455709 2.417525 -0.806990
C -4.499329 -1.396830 0.156993
C -2.509125 -0.050896 -0.137374
C -2.023826 3.181798 0.468339
C -3.398187 3.263344 -1.687756
C -0.341603 -1.113802 0.131469
C 1.132199 -0.766411 0.158504
C -4.804116 -2.880224 -0.130237
C -5.089965 -0.959713 1.523765
C 2.077411 -1.823548 0.248258
C 1.594248 0.572674 0.114856
C 3.457205 -1.557378 0.298017
C 2.972890 0.858896 0.161798
C 3.887528 -0.212042 0.253770
H -1.550222 2.163646 -1.387536
H -4.153525 1.148069 -0.438803
H -4.992023 -0.791404 -0.645555
H -1.465295 4.098739 0.202673
H -2.907071 3.477105 1.065030
H -1.375369 2.547588 1.096752
H -3.667866 2.726211 -2.614367
H -2.910480 4.213357 -1.967106
H -4.329358 3.515957 -1.143082
H -0.567541 -1.872023 -0.642729
H -0.677689 -1.542462 1.095758
H -5.893486 -3.070056 -0.127323
H -4.394753 -3.176869 -1.111638
H -4.329993 -3.513464 0.640964
H -6.186433 -1.101396 1.542135
H -4.872100 0.102176 1.744719
H -4.646124 -1.568992 2.331266
H 1.729064 -2.862727 0.278356
H 0.862882 1.380614 0.040653
H 4.198733 -2.357364 0.366776
H 3.349786 1.884513 0.128510


