%chk=000163837.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163837

0 1
 O    2.317900      -3.669000      5.8400001E-02
 O   -2.095500       1.097100      0.5349000    
 O    3.254800       1.739700      -3.119200    
 O    3.108700       2.230200       3.022500    
 O    1.380000       2.115800      -1.892200    
 O    1.126300       2.046800       1.927500    
 N    2.294500      0.4066000      5.6499999E-02
 N   -2.617400      -1.098300     -0.1103000    
 N   -5.003100      0.2177000       1.291500    
 N   -4.004600       2.402300      -1.575300    
 C    2.232400     -0.8935000      0.7255000    
 C    1.020000      -1.673600      0.3382000    
 C  -0.2184000      -1.033300      0.2948000    
 C    2.796100      0.2546000      -1.308400    
 C    3.139500       1.329600      0.8127000    
 C   -1.360900      -1.748000     -6.5399997E-02
 C    1.115900      -3.028600      2.1600001E-02
 C   -4.383600      0.5450000      5.5999998E-03
 C   -1.264900      -3.103000     -0.3820000    
 C  -2.6500000E-02  -3.743400     -0.3386000    
 C   -2.893300      0.2371000      0.1723000    
 C   -4.652200       2.018600     -0.3229000    
 C    2.394600       1.464500      -2.106000    
 C    2.339700       1.885300       1.958500    
 H    2.162700     -0.7692000       1.815300    
 H    3.162900      -1.450000      0.5546000    
 H  -0.2428000      1.1700000E-02  0.5641000    
 H    2.346600     -0.6026000      -1.823600    
 H    3.885500      0.1299000      -1.326100    
 H    3.445100       2.198500      0.2178000    
 H    4.047700      0.8381000       1.181800    
 H   -4.812900     -8.9199997E-02 -0.7796000    
 H   -2.147300      -3.671500     -0.6645000    
 H   3.3799998E-02  -4.799400     -0.5880000    
 H   -3.397800      -1.692900     -0.3806000    
 H   -4.275600       2.671300      0.4737000    
 H   -5.730600       2.196400     -0.4100000    
 H   -4.914500     -0.7825000       1.468300    
 H   -6.003400      0.4090000       1.247300    
 H    2.189300      -4.600100     -0.1913000    
 H   -4.366400       1.829300      -2.336700    
 H   -4.250000       3.365500      -1.800600    
 H    2.968900       2.520300      -3.640000    
 H    2.573900       2.607200       3.753400    


%chk=000163837-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163837

0 1
O 2.257931 -3.637321 -0.576402
O -1.764576 1.596874 -0.133940
O 1.481431 2.962540 -2.007597
O 4.196615 1.285380 3.690954
O 1.804930 3.312288 0.263229
O 2.279789 0.005767 3.403885
N 2.446031 0.460386 0.528047
N -2.532490 -0.622974 -0.395024
N -4.242024 2.626150 -0.405029
N -5.194702 -1.011513 -0.957802
C 2.441071 -1.018291 0.432254
C 1.108749 -1.579136 -0.052006
C -0.077346 -0.819202 0.009543
C 2.396457 1.123122 -0.781987
C 3.453842 1.013071 1.437756
C -1.314629 -1.355768 -0.433528
C 1.045184 -2.908417 -0.544060
C -4.193219 1.180142 -0.188770
C -1.359682 -2.689364 -0.915473
C -0.183384 -3.463475 -0.966544
C -2.698046 0.737965 -0.242164
C -5.080885 0.453729 -1.245636
C 1.869759 2.553340 -0.726022
C 3.195997 0.686550 2.902648
H 2.633384 -1.418877 1.443930
H 3.258100 -1.405434 -0.222432
H -0.029473 0.197320 0.404110
H 1.720355 0.555595 -1.442230
H 3.386633 1.158282 -1.307064
H 3.435904 2.114556 1.361900
H 4.500780 0.687831 1.208744
H -4.565308 0.877701 0.823450
H -2.309482 -3.117534 -1.255988
H -0.225057 -4.495178 -1.340144
H -3.441590 -1.127290 -0.586208
H -4.616009 0.583253 -2.238467
H -6.063738 0.968024 -1.271489
H -3.308387 3.048642 -0.314846
H -4.973323 3.122228 0.107000
H 2.107210 -4.543418 -0.942832
H -5.759502 -1.206015 -0.120182
H -5.552049 -1.548633 -1.756879
H 1.126158 3.891157 -1.959977
H 4.013690 1.085944 4.648772


