%chk=000076845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076845

0 1
 O   0.5680000      1.3000000E-03   1.870600    
 O   -2.574500     -3.1000001E-03 -0.7247000    
 O    2.600100      3.4000000E-03   2.979400    
 O   -2.977200      -4.708700     -0.4304000    
 O   -2.988400       4.702200     -0.4313000    
 N    5.300400      4.1000000E-03  -1.702200    
 C   8.2099997E-02  3.9999999E-04  0.4905000    
 C    1.363500      1.6000000E-03 -0.2792000    
 C  -0.7338000      -1.259400      0.2774000    
 C  -0.7367000       1.258100      0.2769000    
 C    2.435400      3.1000001E-03  0.5953000    
 C   -1.993100      -1.183000     -0.3283000    
 C   -1.996100       1.178400     -0.3284000    
 C    1.936600      3.1000001E-03   1.962000    
 C    1.581100      1.4000000E-03  -1.648100    
 C  -0.2470000      -2.526100      0.6460000    
 C  -0.2528000       2.526100      0.6448000    
 C    3.750100      4.1000000E-03  0.1671000    
 C   -2.742600      -2.339200     -0.5701000    
 C   -2.748700       2.332800     -0.5698000    
 C    2.900000      2.4999999E-03  -2.111500    
 C    3.977300      3.7000000E-03  -1.209400    
 C  -0.9979000      -3.679100      0.4112000    
 C   -1.006800       3.677400      0.4101000    
 C   -2.245000      -3.585700     -0.1988000    
 C   -2.254100       3.580600     -0.1990000    
 H   0.7534000      3.0000001E-04  -2.349400    
 H   0.7278000      -2.629700       1.116000    
 H   0.7220000       2.632200       1.114100    
 H    4.571200      4.9999999E-03  0.8762000    
 H   -3.717600      -2.258900      -1.045500    
 H   -3.724400       2.257200      -1.044300    
 H    3.082400      2.2000000E-03  -3.183800    
 H  -0.6005000      -4.647200      0.7040000    
 H  -0.6057000       4.643400      0.7048000    
 H    6.080000      4.4000000E-03  -1.058000    
 H    5.468800      3.4000000E-03  -2.699400    
 H   -3.813300      -4.457500     -0.8592000    
 H   -2.493000       5.475400     -0.1108000    


%chk=000076845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076845

0 1
O 0.400953 -0.016565 1.860147
O -2.907852 0.007736 0.015267
O 2.348117 -0.025567 3.153662
O -3.031739 -4.817730 -0.380650
O -3.150783 4.758891 -0.259118
N 5.522518 0.005337 -1.376834
C 0.038625 0.000354 0.328340
C 1.424260 0.006422 -0.307431
C -0.774261 -1.249645 0.066163
C -0.771950 1.258856 0.096839
C 2.431217 -0.004369 0.676766
C -2.185463 -1.199365 -0.024463
C -2.186591 1.216373 0.004835
C 1.807896 -0.016839 2.030357
C 1.787199 0.017304 -1.667633
C -0.164964 -2.530186 -0.008929
C -0.159216 2.535593 0.055693
C 3.800439 -0.004588 0.366356
C -2.974003 -2.359117 -0.175279
C -2.971585 2.378440 -0.114367
C 3.154777 0.017235 -2.009821
C 4.179353 0.005960 -1.007046
C -0.918178 -3.702964 -0.158933
C -0.912189 3.715339 -0.062978
C -2.331599 -3.611826 -0.235990
C -2.328236 3.628906 -0.142213
H 1.025067 0.024263 -2.454017
H 0.925452 -2.598875 0.062464
H 0.931393 2.598921 0.128140
H 4.545642 -0.014296 1.169712
H -4.062309 -2.253672 -0.242708
H -4.059144 2.308638 -0.183079
H 3.447308 0.024448 -3.067042
H -0.446557 -4.687608 -0.208387
H -0.411293 4.690832 -0.086002
H 6.255278 -0.008141 -0.673495
H 5.796187 0.006605 -2.354905
H -4.008880 -4.664464 -0.401764
H -2.613888 5.589565 -0.246856


