%chk=000080150.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080150

0 1
 O    2.043600     -1.2500000E-02   2.101400    
 O    3.762800      0.5157000      0.8452000    
 O  -0.5751000      -3.543300      0.1088000    
 O   0.1137000       3.445700     -0.1582000    
 O    1.441900      -2.685200     -1.2100000E-02
 O    1.923900       2.204300     -0.1979000    
 O   -4.447300     -0.7289000      0.1895000    
 O   -4.232100       1.454200      0.1071000    
 N    1.858400     -0.2580000     -0.1123000    
 N    2.603100      0.1125000       1.004400    
 N   0.1965000      -2.558200      4.0700000E-02
 N   0.6778000       2.326900     -0.1458000    
 N   -3.735500      0.3021000      0.1229000    
 C   0.4501000     -0.1170000     -5.2800000E-02
 C  -0.3618000      -1.248900      2.2299999E-02
 C  -0.1250000       1.153800     -6.9499999E-02
 C    2.511000     -0.3717000      -1.408700    
 C   -1.748500      -1.109900      8.0700003E-02
 C   -1.511800       1.292500     -1.1100000E-02
 C   -2.323600      0.1607000      6.4000003E-02
 C    1.478100     -0.3347000      -2.518500    
 H    3.220800      0.4467000      -1.579900    
 H    3.085600      -1.303300      -1.462100    
 H   -2.385600      -1.989400      0.1391000    
 H   -1.964700       2.281100     -2.4100000E-02
 H   0.7748000      -1.171700      -2.487000    
 H   0.9264000      0.6084000      -2.568500    
 H    2.000000     -0.4238000      -3.479300    


%chk=000080150-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080150

0 1
O 1.875611 0.551349 2.005536
O 3.856883 0.167762 0.899111
O -0.586090 -3.495402 0.627679
O 0.091234 3.463862 0.537256
O 1.230188 -2.869049 -0.601412
O 1.654523 2.464676 -0.790706
O -4.560284 -0.789215 0.223971
O -4.349856 1.486301 0.287028
N 1.853382 -0.222692 -0.181709
N 2.581529 0.201873 0.980802
N 0.118512 -2.622067 -0.005030
N 0.576775 2.451345 -0.085080
N -3.867446 0.295201 0.217392
C 0.437864 -0.093610 -0.102397
C -0.421003 -1.230623 -0.040950
C -0.207543 1.179127 -0.023409
C 2.643367 -0.445602 -1.429379
C -1.820389 -1.120108 0.063973
C -1.595644 1.325048 0.098137
C -2.384802 0.161526 0.118265
C 1.765316 -0.421731 -2.688071
H 3.389781 0.368204 -1.469049
H 3.174796 -1.406532 -1.335522
H -2.448220 -2.013136 0.126717
H -2.053475 2.315456 0.171932
H 1.034052 -1.246998 -2.700574
H 1.244015 0.544281 -2.802375
H 2.424422 -0.551148 -3.563836


