%chk=000029254.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029254

0 1
 O   -1.343800     -0.9125000     -0.8919000    
 N   -3.981300     -0.8991000      0.1624000    
 C    2.250700      0.8724000      0.3639000    
 C    2.095600     -0.6394000      0.1088000    
 C   0.9944000       1.701000      3.1800002E-02
 C  -8.6599998E-02 -0.2785000      -1.145000    
 C   0.9789000      -1.163100     -0.5622000    
 C  -0.1049000       1.138000     -0.6363000    
 C    3.428000       1.397800     -0.5052000    
 C    2.580900       1.077300       1.859700    
 C    3.094100      -1.545700      0.5289000    
 C   0.9219000       3.068000      0.3796000    
 C   0.8638000      -2.554500     -0.7587000    
 C   -1.248900       1.920900     -0.8933000    
 C    2.970700      -2.921800      0.3279000    
 C  -0.2138000       3.835400      0.1150000    
 C    1.849200      -3.428400     -0.3107000    
 C   -1.305700       3.258300     -0.5152000    
 C   -1.563300      -1.078300      0.4990000    
 C   -2.919600      -1.733800      0.7047000    
 C   -3.973400      0.4236000      0.7923000    
 C   -5.287000      -1.537700      0.3447000    
 H   5.5000000E-02 -0.2438000      -2.232700    
 H    4.363800      0.8715000     -0.2853000    
 H    3.218000       1.263400      -1.573600    
 H    3.613700       2.464800     -0.3382000    
 H    1.764300      0.7148000       2.497200    
 H    3.492100      0.5554000       2.169500    
 H    2.753700       2.127400       2.117300    
 H    3.997600      -1.190500       1.018000    
 H    1.760100       3.564600      0.8617000    
 H   1.5200000E-02  -2.973300      -1.295600    
 H   -2.090700       1.501700      -1.440100    
 H    3.754800      -3.592200      0.6673000    
 H  -0.2391000       4.883300      0.3993000    
 H  -0.8452000      -1.771000      0.9495000    
 H   -1.470400     -0.1502000       1.070800    
 H    1.749100      -4.496500     -0.4766000    
 H   -2.189400       3.850200     -0.7320000    
 H   -2.921700      -2.697900      0.1805000    
 H   -3.071700      -1.935600       1.772800    
 H   -3.088600       1.012400      0.5791000    
 H   -4.085100      0.3563000       1.881300    
 H   -4.811100       1.021100      0.4123000    
 H   -6.078500     -0.9329000     -0.1117000    
 H   -5.531500      -1.685900       1.402800    
 H   -5.310900      -2.512600     -0.1552000    


%chk=000029254-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029254

0 1
O -1.321375 -1.215970 -0.786703
N -4.110549 -0.543277 0.319071
C 2.356869 0.905606 0.300987
C 2.274411 -0.627196 0.124436
C 1.015651 1.614047 0.006246
C -0.037051 -0.506067 -1.007146
C 1.156292 -1.278269 -0.459622
C -0.102295 0.948954 -0.561172
C 3.436234 1.458092 -0.690252
C 2.791874 1.226769 1.767618
C 3.379403 -1.431231 0.522222
C 0.891691 3.004238 0.285009
C 1.152712 -2.689994 -0.611845
C -1.314362 1.653152 -0.793427
C 3.375303 -2.830628 0.366663
C -0.302831 3.707202 0.036794
C 2.247742 -3.470906 -0.200388
C -1.422548 3.023709 -0.494872
C -1.733375 -1.343687 0.621163
C -3.226280 -1.691942 0.625818
C -4.249961 0.395693 1.449009
C -5.420111 -0.964705 -0.215760
H 0.015218 -0.525592 -2.115441
H 4.418281 0.988308 -0.501044
H 3.150295 1.248600 -1.736430
H 3.546960 2.551578 -0.576925
H 2.052848 0.832573 2.487347
H 3.773107 0.779570 2.000979
H 2.884354 2.314188 1.929542
H 4.264773 -0.957551 0.960454
H 1.743299 3.551703 0.703983
H 0.267449 -3.156644 -1.058629
H -2.172486 1.091556 -1.181512
H 4.244353 -3.418029 0.683849
H -0.362639 4.778224 0.261430
H -1.153309 -2.155026 1.109354
H -1.536223 -0.401158 1.169634
H 2.230077 -4.559319 -0.324260
H -2.363127 3.555058 -0.677662
H -3.385849 -2.469134 -0.144503
H -3.479995 -2.153718 1.616917
H -3.261980 0.782512 1.752926
H -4.734602 -0.067231 2.348167
H -4.862634 1.260622 1.137660
H -6.006642 -0.073349 -0.503926
H -6.034599 -1.555480 0.512263
H -5.270974 -1.581453 -1.119423


