%chk=000016335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016335

0 1
 O   -1.821500       2.596500     -0.5367000    
 N   0.7360000     -8.2800001E-02 -0.4819000    
 C    2.034500     -0.2144000      0.1337000    
 C    2.661800      -1.568400     -0.2086000    
 C    2.945600      0.9428000     -0.2831000    
 C    4.059800      -1.707100      0.3882000    
 C    4.343900      0.8005000      0.3123000    
 C    4.965700     -0.5513000     -2.6900001E-02
 C   0.1387000       1.199200     -0.1472000    
 C   -1.244400       1.320200     -0.8259000    
 C   5.5799998E-02   1.297600       1.377200    
 C   -2.240300      0.2765000     -0.3671000    
 C   -2.316700     -0.9276000      -1.044600    
 C   -3.052500      0.5500000      0.7193000    
 C   -3.234600      -1.889100     -0.6220000    
 C   -3.970400     -0.4115000       1.141900    
 C   -4.061400      -1.631100      0.4713000    
 H    1.951800     -0.2285000       1.226800    
 H    2.726800      -1.689300      -1.298200    
 H    2.028500      -2.384000      0.1623000    
 H    2.586900       1.917800      5.8699999E-02
 H    3.025900      0.9903000      -1.377200    
 H    4.504400      -2.656400      6.8599999E-02
 H    3.988800      -1.740600       1.482400    
 H    4.290600      0.9136000       1.402300    
 H    4.988300       1.604800     -6.0699999E-02
 H    5.936800     -0.6462000      0.4719000    
 H    5.153900     -0.6052000      -1.106200    
 H   0.8145000     -0.1707000      -1.494900    
 H   0.7067000       2.053100     -0.5301000    
 H   -1.140300       1.268900      -1.917400    
 H  -0.6078000       2.116500       1.677600    
 H  -0.3274000      0.3824000       1.843500    
 H    1.020400       1.537600       1.837000    
 H   -1.205900       3.276000     -0.8605000    
 H   -1.682000      -1.137500      -1.900500    
 H   -3.000300       1.485600       1.267600    
 H   -3.306400      -2.838300      -1.145000    
 H   -4.613000     -0.2117000       1.994500    
 H   -4.775800      -2.379900      0.8005000    


%chk=000016335-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016335

0 1
O -1.958229 2.633577 -0.682114
N 0.851096 0.168331 -0.567603
C 2.179625 -0.110992 0.036372
C 2.719907 -1.432168 -0.558597
C 3.227214 1.027584 -0.141534
C 4.093168 -1.819282 0.039689
C 4.598271 0.642774 0.469387
C 5.127257 -0.681026 -0.130815
C 0.049921 1.307890 -0.063954
C -1.335049 1.305648 -0.806490
C -0.119093 1.275174 1.465185
C -2.339377 0.278727 -0.292202
C -2.093369 -1.107288 -0.470253
C -3.525040 0.688031 0.365800
C -3.014774 -2.065142 0.008373
C -4.448046 -0.271949 0.840893
C -4.197682 -1.652072 0.665400
H 2.023707 -0.268979 1.121964
H 2.822947 -1.313946 -1.659926
H 1.975512 -2.231966 -0.387132
H 2.854779 1.965178 0.317235
H 3.352014 1.225083 -1.228425
H 4.462472 -2.749318 -0.434067
H 3.970070 -2.039342 1.120518
H 4.488769 0.526314 1.567984
H 5.328969 1.459152 0.307959
H 6.087158 -0.960387 0.345228
H 5.334590 -0.533956 -1.211305
H 0.927666 0.199266 -1.596632
H 0.522174 2.295233 -0.329720
H -1.125140 1.099416 -1.882983
H -0.876996 2.020548 1.764616
H -0.459437 0.279079 1.795649
H 0.823985 1.520904 1.985103
H -1.291267 3.317835 -0.943290
H -1.165712 -1.427555 -0.955046
H -3.717253 1.757482 0.485095
H -2.810356 -3.132904 -0.133030
H -5.363989 0.059150 1.344183
H -4.915062 -2.395800 1.031388


