%chk=000028629.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028629

0 1
 O   0.2257000      0.9842000     -0.6002000    
 O  -0.5973000       2.396200       1.021000    
 N    3.275700     -0.5290000      5.1300000E-02
 N   -5.444600      -1.640200     -0.1005000    
 C    2.668400     -0.4285000      -1.270100    
 C    2.393800       1.031200      -1.617000    
 C    4.542500      0.2037000      9.3699999E-02
 C    3.487900      -1.930800      0.4163000    
 C    1.463800       1.681500     -0.6017000    
 C    5.154000      0.1630000       1.483900    
 C    2.184800      -2.711200      0.3789000    
 C  -0.7214000       1.447600      0.2620000    
 C   -1.961500      0.6366000      0.1681000    
 C   -3.174400       1.239500      0.4317000    
 C   -1.863100     -0.6949000     -0.1809000    
 C   -4.266500     -0.8702000     -8.6000003E-03
 C   -4.339600      0.4778000      0.3424000    
 C   -3.028200      -1.456500     -0.2703000    
 H    3.315600     -0.8669000      -2.041100    
 H    1.710000     -0.9541000      -1.325400    
 H    1.891200       1.037800      -2.594000    
 H    3.302600       1.623100      -1.757800    
 H    5.262800     -0.1793000     -0.6401000    
 H    4.397900       1.267500     -0.1123000    
 H    4.226300      -2.416700     -0.2339000    
 H    3.850000      -2.009800       1.446500    
 H    1.896700       1.688400      0.4046000    
 H    1.284500       2.720200     -0.9041000    
 H    5.965200      0.8972000       1.549700    
 H    5.597000     -0.8097000       1.718600    
 H    4.421400      0.4176000       2.257500    
 H    2.319900      -3.671800      0.8891000    
 H    1.865000      -2.946600     -0.6409000    
 H    1.376900      -2.181200      0.8953000    
 H   -3.244400       2.288900      0.7023000    
 H  -0.9107000      -1.178300     -0.3766000    
 H   -5.298700      0.9465000      0.5475000    
 H   -2.957900      -2.506700     -0.5422000    
 H   -6.342500      -1.216500      9.1499999E-02
 H   -5.391800      -2.618200     -0.3525000    


%chk=000028629-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028629

0 1
O 0.167317 0.891591 -0.620567
O -0.731688 2.156737 1.122457
N 3.587988 -0.517276 -0.008965
N -5.682267 -1.762068 -0.471514
C 2.818622 -0.351123 -1.270176
C 2.407265 1.117924 -1.523402
C 5.031921 -0.203992 -0.181739
C 3.348856 -1.830625 0.649349
C 1.445672 1.647216 -0.461013
C 5.723893 0.213144 1.130436
C 1.987072 -1.898826 1.367419
C -0.866424 1.249460 0.258660
C -2.093049 0.448887 0.038508
C -3.224072 0.700813 0.862023
C -2.186717 -0.558019 -0.960571
C -4.506285 -1.037788 -0.304455
C -4.411975 -0.025342 0.699118
C -3.370627 -1.291432 -1.132974
H 3.390663 -0.733562 -2.151690
H 1.896587 -0.954553 -1.202715
H 1.940553 1.203159 -2.524149
H 3.304027 1.768814 -1.526414
H 5.582888 -1.063719 -0.643756
H 5.109647 0.634055 -0.899952
H 3.435005 -2.673367 -0.083679
H 4.148465 -1.985230 1.396652
H 1.841708 1.463617 0.553197
H 1.230787 2.724579 -0.579075
H 6.782667 0.473349 0.943199
H 5.707728 -0.596444 1.882443
H 5.214290 1.090117 1.566498
H 1.846661 -2.890113 1.838235
H 1.144046 -1.731777 0.672933
H 1.931721 -1.123563 2.151670
H -3.144010 1.478438 1.629177
H -1.320285 -0.752228 -1.599309
H -5.275569 0.181372 1.342866
H -3.429186 -2.064630 -1.908866
H -6.491711 -1.583843 0.116140
H -5.755185 -2.482355 -1.184301


