%chk=000019976.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019976

1 1
 O    1.630800     -0.8664000       1.222800    
 O   -2.945900      -1.856100      0.2894000    
 N  -0.2950000      -2.202900     -0.3404000    
 N    2.976400     -0.5867000     -0.6833000    
 N   -2.959300      0.4112000     -0.3275000    
 C    1.167600      -2.140600     -0.7566000    
 C  -0.9369000     -0.8369000     -0.5359000    
 C   -1.022100      -3.231800      -1.194200    
 C  -0.3886000      -2.602300       1.125100    
 C    1.935700      -1.129700      6.4300001E-02
 C   -2.394700     -0.8460000     -0.1353000    
 C    3.917000      0.3873000     -0.2718000    
 C    5.106800     -1.8999999E-02  0.3141000    
 C    3.633600       1.731700     -0.4620000    
 C   -4.294300      0.8053000     -7.1599998E-02
 C    6.034200      0.9410000      0.7188000    
 C    4.561200       2.691600     -5.7300001E-02
 C    5.427800      -1.463100      0.5264000    
 C    2.357000       2.186500      -1.092100    
 C    5.761300       2.296400      0.5330000    
 C   -4.675800       2.111900     -0.3279000    
 C   -5.191200     -0.1238000      0.4292000    
 C   -5.991600       2.500600     -7.6099999E-02
 C   -6.506900      0.2649000      0.6808000    
 C   -6.907000       1.577100      0.4282000    
 H    1.187600      -1.886800      -1.822800    
 H    1.610700      -3.132800     -0.6135000    
 H  -0.4115000     -9.3699999E-02  7.1400002E-02
 H  -0.8444000     -0.5722000      -1.595800    
 H  -0.4089000      -4.139500      -1.212000    
 H   -1.997500      -3.499400     -0.7896000    
 H   -1.115200      -2.838500      -2.211200    
 H  -0.4430000      -1.718300       1.766400    
 H   -1.284700      -3.208700       1.288500    
 H   0.4729000      -3.227000       1.383400    
 H    3.211100      -1.043700      -1.562000    
 H   -2.355400       1.144100     -0.6939000    
 H    6.974100      0.6510000       1.181100    
 H    4.364700       3.751800     -0.1935000    
 H    5.380700      -2.011700     -0.4202000    
 H    6.437300      -1.601500      0.9289000    
 H    4.726400      -1.909500       1.238800    
 H    2.344700       3.270100      -1.252300    
 H    2.220600       1.715300      -2.071200    
 H    1.505500       1.938700     -0.4500000    
 H    6.483400       3.043900      0.8485000    
 H   -3.970700       2.839100     -0.7208000    
 H   -4.958700      -1.155000      0.6504000    
 H   -6.303200       3.522200     -0.2728000    
 H   -7.221100     -0.4532000       1.073600    
 H   -7.931500       1.879700      0.6244000    


%chk=000019976-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019976

1 1
O 1.125655 0.506164 -0.345520
O -3.200824 -2.090818 -0.231212
N -0.320948 -2.021549 -0.796908
N 3.145822 -0.644909 -0.654024
N -3.212986 0.262100 -0.287382
C 1.074286 -1.727419 -1.384234
C -1.295007 -0.898393 -1.239690
C -0.787869 -3.372808 -1.363428
C -0.244487 -2.117153 0.731760
C 1.781502 -0.514203 -0.726737
C -2.661633 -0.974392 -0.522525
C 4.068908 0.359244 -0.157616
C 4.928284 -0.027779 0.912615
C 4.133481 1.645319 -0.763342
C -4.511947 0.578982 0.238607
C 5.857888 0.921696 1.393672
C 5.075504 2.565590 -0.238841
C 4.846416 -1.413510 1.529219
C 3.261246 2.038263 -1.937933
C 5.926953 2.213865 0.828304
C -4.822337 1.958036 0.369991
C -5.457481 -0.410202 0.612349
C -6.078074 2.350137 0.873395
C -6.711656 0.001781 1.112884
C -7.029744 1.372219 1.246883
H 0.931583 -1.533397 -2.462618
H 1.660290 -2.656582 -1.274887
H -0.759666 0.046301 -1.042362
H -1.439137 -1.029534 -2.327724
H -0.131436 -4.164397 -0.969637
H -1.829140 -3.523094 -1.042178
H -0.723751 -3.336708 -2.462528
H -0.014217 -1.122531 1.138619
H -1.214579 -2.476793 1.100820
H 0.550724 -2.832989 0.993269
H 3.553698 -1.559790 -0.873681
H -2.639045 1.079768 -0.516664
H 6.523926 0.648450 2.219068
H 5.145615 3.562651 -0.686919
H 5.166659 -2.208606 0.824770
H 5.506729 -1.487046 2.408114
H 3.819265 -1.655167 1.862652
H 3.668276 2.928824 -2.443710
H 3.189645 1.227762 -2.687445
H 2.233659 2.271278 -1.602545
H 6.649642 2.940550 1.213148
H -4.088974 2.722146 0.080026
H -5.213348 -1.468784 0.514690
H -6.313105 3.414522 0.972579
H -7.444465 -0.758909 1.401287
H -8.005798 1.676414 1.637474


