%chk=000020839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020839

0 1
 O   -5.251400     -0.4710000     -0.2889000    
 O    2.083300       4.251700     -0.2783000    
 O    4.112900      -2.786700     -0.3014000    
 N   -1.224300      0.7391000     -0.1171000    
 N  -0.5595000      -1.590600     -0.1056000    
 N    1.121400      0.1540000     -0.1138000    
 C   -1.559200     -0.6127000      0.3502000    
 C   0.1162000       1.121300      0.3472000    
 C   0.7811000      -1.196200      0.3538000    
 C   -2.927800      -1.006100     -0.2022000    
 C   0.4616000       2.503100     -0.2043000    
 C    1.806100      -2.187000     -0.1946000    
 C   -4.007600     -3.7900001E-02  0.2443000    
 C    1.834700       2.958300      0.2548000    
 C    3.212800      -1.839100      0.2559000    
 H   -1.611300     -0.6214000       1.447300    
 H   0.1250000       1.174900       1.443900    
 H   0.8200000      -1.227300       1.451100    
 H   -1.242400      0.7545000      -1.136700    
 H  -0.7907000      -2.515500      0.2562000    
 H    1.147000      0.1584000      -1.133400    
 H   -3.195800      -2.018100      0.1304000    
 H   -2.914600      -1.053700      -1.300100    
 H  -0.2871000       3.238600      0.1196000    
 H   0.4236000       2.512300      -1.302600    
 H    1.774900      -2.223200      -1.292600    
 H    1.563600      -3.205400      0.1380000    
 H   -4.087900     -1.5799999E-02   1.336000    
 H   -3.827100      0.9778000     -0.1198000    
 H    1.883000       3.027000       1.346000    
 H    2.636900       2.297000     -8.6099997E-02
 H    3.528200     -0.8518000     -9.2900001E-02
 H    3.307100      -1.867400       1.346200    
 H   -5.927600      0.1575000      1.6700000E-02
 H    2.078300       4.176500      -1.247800    
 H    3.867900      -3.662800      4.2100001E-02


%chk=000020839-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020839

0 1
O -5.367925 -0.657898 -0.123899
O 2.138061 4.456791 -0.226645
O 4.224559 -2.942769 -0.169193
N -1.246778 0.802909 -0.159387
N -0.565923 -1.542395 -0.223817
N 1.174728 0.163108 -0.165562
C -1.588676 -0.569834 0.281888
C 0.144964 1.172069 0.235975
C 0.800851 -1.199007 0.280995
C -2.988027 -0.981124 -0.200584
C 0.510104 2.562653 -0.310657
C 1.826923 -2.237520 -0.204443
C -4.097918 -0.096191 0.373457
C 1.842882 3.093895 0.250088
C 3.231945 -2.006270 0.383103
H -1.577313 -0.537465 1.401397
H 0.154103 1.196420 1.344944
H 0.811276 -1.161080 1.400786
H -1.362043 0.876232 -1.184631
H -0.826642 -2.520039 -0.020575
H 1.290931 0.165492 -1.193880
H -3.187002 -2.029224 0.097873
H -3.022978 -0.948911 -1.305955
H -0.300557 3.266541 -0.051360
H 0.563713 2.518574 -1.421560
H 1.882452 -2.208719 -1.309537
H 1.468767 -3.251940 0.073680
H -4.067134 -0.117732 1.484999
H -3.959557 0.951797 0.041327
H 1.781223 3.198922 1.346562
H 2.668589 2.393773 0.014250
H 3.600456 -1.007203 0.106314
H 3.202327 -2.069719 1.492856
H -6.117576 -0.083354 0.172801
H 2.273707 4.430308 -1.207539
H 3.954788 -3.868790 0.057430


