%chk=000068815.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068815

0 1
 O   -1.077400      -1.353700      -1.326900    
 O   -4.186200     -0.9175000      -1.837100    
 O   0.9488000     -0.7890000       1.879400    
 O    5.252700      0.6314000      -1.722300    
 O    5.305300      -3.166600      0.9129000    
 N   -2.661500     -0.8180000      0.2730000    
 N   0.6603000      0.2136000     -0.2070000    
 N   -5.051300      -2.999300      -1.376600    
 N   0.5624000       3.396400     -4.8000002E-03
 N  -0.6604000       5.168900      0.5387000    
 N    3.385200      7.3500000E-02 -0.4971000    
 N    5.301500      -1.269500     -0.4129000    
 C   -3.449100      -2.036800      0.1422000    
 C   -4.342700      -2.055000       1.377100    
 C   -4.528500     -0.5749000       1.702400    
 C   -3.183400      3.4699999E-02   1.338100    
 C   -1.486600     -0.6112000     -0.4328000    
 C  -0.7063000      0.6205000     -4.8799999E-02
 C   -4.247400      -1.913700      -1.120700    
 C   -1.095800       1.791700     -0.9420000    
 C  -0.7136000       3.116900     -0.3269000    
 C    1.370000     -0.4584000      0.7763000    
 C   -1.459800       4.190800      2.0999999E-03
 C    2.754500     -0.7703000      0.3764000    
 C   0.5509000       4.658600      0.5207000    
 C    3.339900      -1.861100      0.8790000    
 C    4.685900     -0.1288000     -0.9368000    
 C    4.732500      -2.173200      0.4747000    
 H   -2.795900      -2.913300      7.4000001E-02
 H   -5.300000      -2.567100       1.247100    
 H   -3.811300      -2.538800       2.206300    
 H   -4.801900     -0.3983000       2.746400    
 H   -5.316100     -0.1518000       1.067400    
 H   -3.267100       1.073100       1.007300    
 H   -2.494300     -2.1800000E-02   2.187800    
 H  -0.8498000      0.8617000       1.008300    
 H  -0.6284000       1.709200      -1.931900    
 H   -2.180100       1.796300      -1.113700    
 H    1.082900      0.3466000      -1.120800    
 H   -5.073500      -3.814800     -0.7728000    
 H   -5.644200      -3.026400      -2.199500    
 H    1.373400       2.802800     -0.1225000    
 H   -2.524500       4.335500     -0.1078000    
 H    1.451700       5.143900      0.8685000    
 H    2.893600      0.8999000     -0.8226000    
 H    2.852200      -2.541400       1.567500    
 H    6.255400      -1.454000     -0.7104000    


%chk=000068815-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068815

0 1
O -1.077821 -1.938566 -0.685421
O -4.080641 -0.353845 -1.838129
O 2.064750 1.320081 1.095772
O 4.339677 -2.637434 -2.724065
O 6.786846 -0.880531 0.869668
N -2.720218 -0.885344 0.566983
N 0.840345 -0.335627 0.008722
N -4.560902 -2.613237 -2.097798
N 0.009121 3.223154 1.120632
N -1.659172 4.752004 1.213750
N 3.257387 -1.233765 -1.191412
N 5.530848 -1.764081 -0.893206
C -3.755458 -1.840398 0.109755
C -4.949072 -1.550223 1.064767
C -4.793586 -0.041369 1.384745
C -3.263804 0.154828 1.491372
C -1.460724 -0.961488 0.053086
C -0.486773 0.202336 0.345592
C -4.122668 -1.528154 -1.367889
C -0.873397 1.476833 -0.520145
C -1.001120 2.747845 0.271642
C 2.011230 0.255368 0.393095
C -2.019866 3.708988 0.345154
C 3.282789 -0.430046 -0.046315
C -0.428272 4.421373 1.664003
C 4.441092 -0.269747 0.676856
C 4.384223 -1.937615 -1.680854
C 5.674446 -0.952486 0.278305
H -3.379871 -2.875868 0.190778
H -5.920320 -1.793384 0.603737
H -4.838977 -2.157618 1.981791
H -5.311588 0.254162 2.311428
H -5.186562 0.563585 0.550706
H -2.950192 1.167894 1.193226
H -2.901622 -0.037843 2.520982
H -0.508451 0.476330 1.416994
H -0.102789 1.571094 -1.309424
H -1.829368 1.289831 -1.042288
H 0.773296 -1.262912 -0.448874
H -4.486584 -3.566710 -1.746694
H -4.844410 -2.466035 -3.066819
H 0.893980 2.711033 1.282177
H -2.972205 3.720311 -0.182694
H 0.160546 5.008479 2.364499
H 2.436458 -1.276088 -1.800173
H 4.451804 0.367325 1.561071
H 6.369595 -2.261141 -1.210191


