%chk=000083827.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083827

0 1
 O    1.165900       1.918400     -0.3875000    
 O  -0.2507000       1.665600       1.419700    
 O   -1.268800      -2.074700      0.9024000    
 N    3.366900      0.5951000     -0.1463000    
 C    2.728200      7.1000000E-03   1.048600    
 C    3.409100     -0.5390000      -1.084600    
 C    1.212900     -0.1320000      0.7480000    
 C   0.9434000     -0.9869000     -0.5149000    
 C    1.974900     -0.7084000      -1.629100    
 C    3.400900      -1.363900       1.194500    
 C    3.844600      -1.729900     -0.2242000    
 C  -0.4883000     -0.8822000      -1.040800    
 C    4.687400       1.153900      0.1309000    
 C   0.6087000       1.243400      0.6578000    
 C   -1.510800      -1.260100      1.4600000E-02
 C   -2.855700     -0.6147000     -3.6400001E-02
 C   0.6790000       3.248800     -0.5900000    
 C   -3.358400     -0.2351000      -1.259800    
 C   -3.540800     -0.4249000       1.141800    
 C   -4.615400      0.3677000      -1.307700    
 C   -4.797700      0.1778000       1.093900    
 C   -5.335100      0.5742000     -0.1309000    
 H    2.868100      0.6272000       1.942500    
 H    4.089900     -0.3698000      -1.926500    
 H   0.7460000     -0.6194000       1.613900    
 H    1.088900      -2.035100     -0.2160000    
 H    1.957500      -1.540300      -2.345100    
 H    1.693400      0.1859000      -2.199500    
 H    2.735500      -2.120900       1.622200    
 H    4.280300      -1.295300       1.845900    
 H    4.934900      -1.845000     -0.2465000    
 H    3.408200      -2.676900     -0.5579000    
 H  -0.6217000      -1.568600      -1.885800    
 H  -0.6760000      0.1331000      -1.405300    
 H    5.118700       1.568400     -0.7869000    
 H    5.399100      0.4311000      0.5424000    
 H    4.601000       1.985000      0.8394000    
 H  -0.3940000       3.230100     -0.8035000    
 H    1.201200       3.673900      -1.451200    
 H   0.8887000       3.866300      0.2885000    
 H   -2.828100     -0.4016000      -2.191600    
 H   -3.131600     -0.7232000       2.102200    
 H   -5.035900      0.6725000      -2.261600    
 H   -5.357700      0.3400000       2.010200    
 H   -6.314100       1.042900     -0.1683000    


%chk=000083827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083827

0 1
O 0.760492 2.236067 -0.565072
O 1.604393 2.627650 1.556399
O -1.177273 -1.348955 1.395533
N 3.674528 0.467605 -0.183040
C 2.960034 0.050735 1.066427
C 3.389332 -0.693864 -1.089129
C 1.434053 0.295544 0.812379
C 0.944592 -0.627557 -0.343577
C 1.915386 -0.574022 -1.553667
C 3.298715 -1.470217 1.254158
C 3.616530 -1.969860 -0.196056
C -0.524737 -0.424977 -0.768679
C 5.115882 0.742323 0.017185
C 1.284206 1.809600 0.662228
C -1.544489 -0.826742 0.298626
C -3.007471 -0.607199 0.020093
C 0.697650 3.707341 -0.744376
C -3.478004 -0.055413 -1.202528
C -3.949194 -0.972497 1.020676
C -4.860960 0.124458 -1.418735
C -5.329192 -0.790004 0.806079
C -5.789247 -0.241212 -0.415934
H 3.281894 0.673622 1.916918
H 4.063232 -0.661421 -1.963834
H 0.882717 0.023299 1.733270
H 0.994790 -1.648938 0.084373
H 1.676162 -1.398858 -2.255074
H 1.796339 0.383352 -2.092283
H 2.465819 -2.024312 1.721314
H 4.177084 -1.581575 1.914372
H 4.661090 -2.320039 -0.275383
H 2.964078 -2.805407 -0.506486
H -0.727152 -1.039837 -1.672413
H -0.692859 0.624525 -1.072041
H 5.567180 1.026888 -0.950201
H 5.702016 -0.113490 0.430992
H 5.225896 1.597019 0.707674
H 0.058404 4.163043 0.030262
H 0.272750 3.851237 -1.748255
H 1.710766 4.136945 -0.675298
H -2.770414 0.234377 -1.985943
H -3.566789 -1.396156 1.955385
H -5.216099 0.549012 -2.364170
H -6.046938 -1.072339 1.584024
H -6.862694 -0.099252 -0.584696


