%chk=000170682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170682

0 1
 O   -1.670400       2.304700       1.111200    
 O    1.483900      -1.077900       1.440800    
 O   -1.069800      -1.068500      -1.548100    
 N  -0.5517000      0.5009000      8.5100003E-02
 C   0.6495000      0.9420000     -0.6019000    
 C    1.607300     -0.2462000     -0.8381000    
 C    1.332400       2.054100      0.2081000    
 C   0.2348000       1.514600      -1.967700    
 C  -0.8478000       1.174300       1.353000    
 C    2.141000     -0.9396000      0.4110000    
 C   -1.336000     -0.5145000     -0.4800000    
 C    3.534700      -1.504800      0.3055000    
 C   -2.542200     -0.9360000      0.2893000    
 C   -2.965600      -2.203100      0.2317000    
 H    1.199900      -1.028500      -1.483600    
 H    2.484100      0.1425000      -1.375300    
 H    1.768000       1.711200       1.152500    
 H    2.190000       2.436700     -0.3628000    
 H   0.6952000       2.928000      0.3818000    
 H    1.090100       1.989100      -2.463900    
 H  -0.5427000       2.279800      -1.855100    
 H  -0.1443000      0.7639000      -2.666300    
 H   7.8999996E-03   1.429400       1.977200    
 H   -1.423700      0.4994000       1.992800    
 H    4.246200     -0.6953000      0.1248000    
 H    3.801400      -2.005400       1.240400    
 H    3.573600      -2.232600     -0.5086000    
 H   -3.097400     -0.2075000      0.8668000    
 H   -2.325700       2.042700      0.4431000    
 H   -3.853500      -2.505200      0.7769000    
 H   -2.447100      -2.962200     -0.3438000    


%chk=000170682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170682

0 1
O -1.660222 2.278672 1.335276
O 1.929261 -0.382237 1.672609
O -0.820624 -1.304962 -1.366642
N -0.506204 0.451850 0.158391
C 0.684388 0.997916 -0.624264
C 1.774979 -0.105306 -0.767114
C 1.283292 2.249505 0.068141
C 0.192998 1.426365 -2.036020
C -0.854981 1.053306 1.450009
C 2.355023 -0.682518 0.522388
C -1.216958 -0.646789 -0.345388
C 3.498880 -1.675760 0.343770
C -2.509200 -1.025514 0.328536
C -3.181452 -2.137400 -0.064997
H 1.346983 -0.945996 -1.349252
H 2.612164 0.296308 -1.374328
H 1.796825 2.008434 1.012355
H 2.028215 2.689688 -0.618756
H 0.507685 3.009439 0.264435
H 1.045357 1.806948 -2.627951
H -0.548688 2.239393 -1.941022
H -0.262021 0.583177 -2.578148
H 0.055568 1.368994 1.966759
H -1.353357 0.298101 2.080191
H 4.400400 -1.151193 -0.028469
H 3.737205 -2.156303 1.305248
H 3.240435 -2.445131 -0.406666
H -2.934107 -0.391375 1.114700
H -2.513414 2.069230 0.875118
H -4.138650 -2.420286 0.385877
H -2.767681 -2.770554 -0.857988


