%chk=000020789.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020789

0 1
 O    2.618100      0.1958000     -4.9600001E-02
 O    2.090400      -1.914200      0.6885000    
 O    4.902300       1.604500     -0.8612000    
 N   0.6970000     -0.7418000     -0.7500000    
 C   -1.444600      -1.569600      0.1709000    
 C  -0.3421000      -1.728400     -0.8881000    
 C   -2.112300     -0.2050000      0.1166000    
 C   -2.476900      -2.693200      2.8600000E-02
 C   -2.264100      0.4174000      -1.106600    
 C   -2.547800      0.3738000       1.292200    
 C   -2.876300       1.669800      -1.156400    
 C   -3.160100       1.626000       1.242400    
 C   -3.324400       2.274000      1.8100001E-02
 C    1.826800     -0.9158000      2.6300000E-02
 C    3.830400      0.1524000      0.7114000    
 C    4.583600       1.454200      0.5169000    
 H  -0.9673000      -1.673400       1.155700    
 H   0.1183000      -2.717900     -0.7731000    
 H  -0.7156000      -1.689200      -1.915900    
 H   -1.998500      -3.674400      0.1172000    
 H   -2.984500      -2.649800     -0.9417000    
 H   -3.244200      -2.623700      0.8076000    
 H   0.6000000      0.1341000      -1.254600    
 H   -1.959300     -2.7200000E-02  -2.046400    
 H   -2.425900     -0.1242000       2.249300    
 H   -3.010800       2.171800      -2.110200    
 H   -3.509900       2.096400       2.156800    
 H   -3.802700       3.248300     -2.0700000E-02
 H    3.593900      1.2500000E-02   1.771900    
 H    4.438200     -0.6860000      0.3518000    
 H    5.510800       1.457200       1.097200    
 H    3.963400       2.306400      0.8116000    
 H    5.382300       2.445300     -0.9524000    


%chk=000020789-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020789

0 1
O 2.687863 0.220181 0.183092
O 2.375647 -2.118668 0.247593
O 5.090360 1.829855 -0.576457
N 0.709534 -0.643763 -0.524181
C -1.535571 -1.574887 0.170392
C -0.311007 -1.660608 -0.791271
C -2.232327 -0.215734 0.063015
C -2.496130 -2.758319 -0.106499
C -2.929564 0.161835 -1.116351
C -2.171882 0.713800 1.132651
C -3.552330 1.425098 -1.219279
C -2.794477 1.980325 1.035091
C -3.487816 2.340777 -0.142426
C 1.946256 -0.963254 -0.013717
C 4.079120 0.011337 0.647066
C 4.731006 1.376920 0.774352
H -1.142592 -1.680891 1.200646
H 0.178436 -2.643767 -0.680718
H -0.660869 -1.569499 -1.839049
H -1.979116 -3.723798 0.044791
H -2.876006 -2.739491 -1.145190
H -3.368473 -2.722922 0.569203
H 0.494513 0.343149 -0.673790
H -2.993735 -0.537089 -1.959542
H -1.635193 0.440468 2.049569
H -4.087872 1.695992 -2.136435
H -2.737984 2.682091 1.875081
H -3.971965 3.320624 -0.221010
H 4.060664 -0.513624 1.620175
H 4.624627 -0.613995 -0.081497
H 5.640031 1.273727 1.406186
H 4.027001 2.075444 1.272187
H 5.308050 2.794786 -0.559577


