%chk=000161638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161638

0 1
 O    3.079300       2.124100      -1.007700    
 O    3.269400      -1.782300       1.452800    
 N   -3.838800     -0.3960000      8.2300000E-02
 N    2.805400      0.1363000      0.1971000    
 C   -5.695800      0.6235000       1.063200    
 C   -4.547300       1.626100       1.011100    
 C   -5.298500     -0.4867000      0.1015000    
 C   -3.548200       1.036400      2.6400000E-02
 C   -3.251400      -1.126000      -1.031300    
 C    4.982100      0.9263000     -0.1450000    
 C    5.045900     -0.3600000      0.6615000    
 C    1.370600      3.6800001E-02  0.1684000    
 C    3.520000       1.164600     -0.3901000    
 C    3.616400     -0.7838000      0.8371000    
 C   0.8734000     -0.8064000     -0.9995000    
 C   -1.790100      -1.012600      -1.018000    
 C  -0.5925000     -0.9205000      -1.009700    
 H   -5.803000      0.2354000       2.082900    
 H   -6.647700       1.081700      0.7765000    
 H   -4.888100       2.616400      0.6923000    
 H   -4.099800       1.728800       2.006700    
 H   -5.647300      -1.464400      0.4486000    
 H   -5.731900     -0.2916000     -0.8879000    
 H   -3.729200       1.451700     -0.9737000    
 H   -2.523300       1.278100      0.3258000    
 H   -3.638900     -0.7692000      -1.994200    
 H   -3.520200      -2.186400     -0.9524000    
 H    5.505200      0.8247000      -1.100300    
 H    5.405100       1.767500      0.4121000    
 H    5.505600     -0.1948000       1.640300    
 H    5.598900      -1.138600      0.1279000    
 H   0.9477000       1.046900      0.1047000    
 H    1.032500     -0.4037000       1.114500    
 H    1.213000     -0.3662000      -1.945000    
 H    1.315700      -1.808800     -0.9497000    


%chk=000161638-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161638

0 1
O 2.913412 2.229779 0.380022
O 3.750010 -2.379022 0.236956
N -3.921121 -0.177707 0.214696
N 3.036569 -0.129538 0.346161
C -5.985956 0.862137 0.848456
C -4.960787 1.945633 0.365333
C -5.357769 -0.496323 0.427263
C -3.913049 1.151099 -0.449598
C -3.185247 -1.245570 -0.498603
C 5.108633 1.038922 0.171016
C 5.383946 -0.482929 0.112623
C 1.594957 -0.396076 0.474624
C 3.587384 1.175324 0.307546
C 4.009903 -1.152635 0.232853
C 0.905667 -0.492068 -0.917850
C -1.743310 -0.966830 -0.639067
C -0.537174 -0.753868 -0.788561
H -6.116970 0.915036 1.942400
H -6.979510 0.996525 0.386095
H -5.433637 2.737458 -0.241237
H -4.475911 2.425307 1.232365
H -5.471286 -1.284270 1.193666
H -5.840217 -0.864304 -0.516476
H -4.227060 1.074755 -1.523794
H -2.902739 1.592365 -0.421106
H -3.613550 -1.425902 -1.522369
H -3.318462 -2.188566 0.067761
H 5.437440 1.577515 -0.734052
H 5.588863 1.534612 1.032055
H 6.029209 -0.841327 0.932677
H 5.856233 -0.804059 -0.831582
H 1.147188 0.426239 1.057126
H 1.471170 -1.347435 1.018441
H 1.071570 0.454947 -1.466428
H 1.385803 -1.301925 -1.500211


