%chk=000102475.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102475

0 1
 O   -2.164700      -1.757500      0.5463000    
 N   -4.011800      -1.444800      -1.719300    
 N   -1.071600     -9.1700003E-02 -0.6937000    
 C   -3.971700       1.327200      0.9968000    
 C   -4.444900      0.1251000      0.1541000    
 C   -3.459500     -0.3469000     -0.9276000    
 C   -3.637500       2.545200      0.1349000    
 C   -2.745500      0.9277000       1.822600    
 C   -2.168400     -0.8360000     -0.2655000    
 C   0.2808000     -0.2455000     -0.3063000    
 C    2.585600      0.4597000     -0.4678000    
 C    1.239200      0.5994000     -0.8418000    
 C    2.945900     -0.5490000      0.4572000    
 C   0.6160000      -1.235100      0.5981000    
 C    1.948800      -1.388000      0.9810000    
 C    3.582300       1.299200     -0.9914000    
 C    4.292400     -0.6887000      0.8311000    
 C    4.915200       1.145900     -0.6089000    
 C    5.269600      0.1539000      0.3005000    
 H   -4.785600       1.592700       1.683000    
 H   -4.688900     -0.7065000      0.8296000    
 H   -5.389900      0.4049000     -0.3313000    
 H   -3.259300      0.4758000      -1.621000    
 H   -3.425500       3.411100      0.7718000    
 H   -2.760100       2.386300     -0.4987000    
 H   -4.482700       2.806800     -0.5101000    
 H   -1.793400       1.079400       1.318300    
 H   -2.693700       1.602300       2.688400    
 H   -2.826100     -7.6099999E-02   2.247600    
 H   -3.374300      -1.670500      -2.482200    
 H   -4.883700      -1.147200      -2.155300    
 H   -1.237200      0.6533000      -1.366300    
 H   0.9506000       1.372000      -1.552100    
 H  -7.9000004E-02  -1.926100       1.051200    
 H    2.204400      -2.170000       1.693400    
 H    3.328300       2.081500      -1.703700    
 H    4.592300      -1.457100       1.540700    
 H    5.676300       1.801700      -1.021500    
 H    6.307400      3.5300002E-02  0.5978000    


%chk=000102475-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102475

0 1
O -2.113658 -1.727965 0.466701
N -3.918159 -1.191515 -1.904201
N -0.936940 -0.017657 -0.648953
C -4.320148 1.368203 1.004911
C -4.494373 0.116042 0.097934
C -3.394920 -0.178578 -0.951993
C -4.227235 2.682148 0.189957
C -3.149332 1.255721 2.012323
C -2.096899 -0.707300 -0.287086
C 0.418745 -0.267941 -0.288572
C 2.787902 0.390679 -0.493713
C 1.407223 0.583988 -0.807000
C 3.164923 -0.705590 0.376608
C 0.788452 -1.355761 0.576972
C 2.131301 -1.554892 0.891345
C 3.816392 1.246154 -1.015119
C 4.549141 -0.903458 0.690887
C 5.157337 1.027768 -0.691784
C 5.528971 -0.055564 0.168455
H -5.256109 1.421178 1.600886
H -4.593917 -0.784104 0.738302
H -5.434745 0.219844 -0.477149
H -3.185386 0.742317 -1.531930
H -4.278010 3.561304 0.858794
H -3.270583 2.752159 -0.363562
H -5.051512 2.762521 -0.543397
H -2.166948 1.300404 1.506809
H -3.183496 2.088612 2.739462
H -3.191636 0.304875 2.573387
H -3.273137 -1.395758 -2.678601
H -4.178550 -2.058702 -1.414863
H -1.080142 0.788820 -1.262706
H 1.128318 1.416396 -1.467874
H 0.003866 -2.004581 0.969698
H 2.410881 -2.384605 1.551518
H 3.534746 2.076532 -1.674067
H 4.828763 -1.734098 1.350042
H 5.934180 1.686292 -1.095936
H 6.584792 -0.214190 0.413415


