%chk=000049110.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049110

0 1
 O   0.7185000       1.382700     -0.6311000    
 O    1.014700      0.6710000       1.551900    
 N  -0.2770000      -1.877900     -0.1002000    
 N   -2.715000      0.1530000     -0.4250000    
 N    2.865600       1.039700      0.1925000    
 C  -0.7349000      -1.015800      -1.158900    
 C   0.3555000      -3.092000     -0.6369000    
 C   -1.379900      -2.252600      0.7973000    
 C   -1.381800      0.2256000     -0.6378000    
 C    1.555300      -2.748800      -1.503300    
 C  -0.8946000      -3.162200       1.913400    
 C  -0.6600000       1.357600     -0.3955000    
 C   -1.266600       2.489400      8.2500003E-02
 C   -3.309500       1.271800      4.6500001E-02
 C   -2.637300       2.453500      0.3140000    
 C    1.494100       1.001400      0.4678000    
 C    3.828900      0.6742000       1.221100    
 C    3.423900       1.429600      -1.098200    
 H   -1.456300      -1.537100      -1.804900    
 H   7.5599998E-02 -0.7063000      -1.827400    
 H   0.7589000      -3.713400      0.1684000    
 H  -0.3544000      -3.704100      -1.207300    
 H   -1.779800      -1.370200       1.306600    
 H   -2.203300      -2.737300      0.2578000    
 H    1.265800      -2.347300      -2.479200    
 H    2.222200      -2.034400      -1.008400    
 H    2.137700      -3.656000      -1.700200    
 H  -0.7343000      -4.191300       1.577400    
 H   2.3900000E-02  -2.786300       2.377300    
 H   -1.656500      -3.211900       2.699900    
 H  -0.7036000       3.395900      0.2787000    
 H   -4.379000       1.191800      0.2107000    
 H   -3.162700       3.323100      0.6919000    
 H    4.418400     -0.1755000      0.8648000    
 H    3.335900      0.3972000       2.156300    
 H    4.488500       1.527200       1.405300    
 H    4.008300      0.5927000      -1.491700    
 H    4.079000       2.292900     -0.9486000    
 H    2.654200       1.693400      -1.825800    


%chk=000049110-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049110

0 1
O 0.648656 1.150468 -0.483189
O 0.963544 0.788060 1.833336
N -0.320057 -1.875203 -0.307574
N -2.965778 0.353670 -0.700679
N 2.771046 0.748669 0.329550
C -1.056316 -1.076304 -1.327614
C 0.436335 -2.994853 -0.928603
C -1.204617 -2.334549 0.802944
C -1.603677 0.221136 -0.759035
C 1.710571 -2.540773 -1.665597
C -0.423807 -2.619488 2.099641
C -0.754332 1.261006 -0.297766
C -1.298573 2.433338 0.260344
C -3.493284 1.497197 -0.174857
C -2.703546 2.555777 0.325853
C 1.444911 0.872207 0.677621
C 3.750812 0.467190 1.390428
C 3.294585 0.916513 -1.034288
H -1.918979 -1.633015 -1.765296
H -0.349349 -0.841669 -2.144064
H 0.730995 -3.684195 -0.117257
H -0.213040 -3.585307 -1.626288
H -1.935175 -1.532225 1.004293
H -1.799363 -3.233196 0.498931
H 1.485476 -1.888018 -2.528547
H 2.361042 -1.980078 -0.971815
H 2.266310 -3.417406 -2.047852
H 0.313503 -3.434404 1.975621
H 0.112197 -1.707995 2.415172
H -1.119517 -2.921686 2.905102
H -0.633990 3.220875 0.627626
H -4.587570 1.551255 -0.151862
H -3.173731 3.447235 0.752561
H 4.284480 -0.479653 1.180979
H 3.221394 0.378913 2.350485
H 4.494913 1.284191 1.459288
H 3.869013 0.019355 -1.335247
H 3.968550 1.794479 -1.083778
H 2.464769 1.061786 -1.736868


