%chk=000005611.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005611

0 1
 I  -0.4552000      -1.968200       1.621400    
 I    3.296600       2.631800      0.1645000    
 I   -2.578700       3.387900     -0.4520000    
 O    3.103800      0.3011000      -1.861800    
 O    4.985300     -0.1457000     -0.6761000    
 O   -2.916700     -0.6331000      -1.446100    
 N   -2.528700      0.3206000      0.6673000    
 C    2.889800      -1.173600      1.8600000E-02
 C    2.337300     -0.3447000       1.192900    
 C    3.688900      -2.379100      0.5471000    
 C    1.155400      0.5146000      0.8113000    
 C  -0.1352000      1.1100000E-02  0.9193000    
 C    3.781900     -0.2946000     -0.8479000    
 C    4.291700      -3.220100     -0.5714000    
 C    1.377600       1.807700      0.3533000    
 C   -1.220000      0.8128000      0.5643000    
 C   0.2929000       2.609500     -1.7000000E-03
 C   -1.006000       2.111900      0.1038000    
 C   -4.657600     -0.7186000      0.2202000    
 C   -3.272900     -0.3592000     -0.3049000    
 C   -5.527900      -1.464000     -0.7892000    
 C   -6.902500      -1.808100     -0.2328000    
 H    2.080400      -1.561300     -0.6132000    
 H    2.088100     -0.9939000       2.037600    
 H    3.136300      0.2532000       1.645600    
 H    4.495500      -2.042700       1.210300    
 H    3.029700      -3.018100       1.146800    
 H    3.518900      -3.547300      -1.274400    
 H    4.762000      -4.114800     -0.1503000    
 H    5.060800      -2.680700      -1.130600    
 H   0.4601000       3.622800     -0.3612000    
 H   -2.914400      0.3512000       1.608700    
 H   -5.155900      0.2109000      0.5216000    
 H   -4.528900      -1.334100       1.119000    
 H   -5.648900     -0.8545000      -1.692800    
 H   -5.024400      -2.387600      -1.099100    
 H    3.690400      0.8586000      -2.416200    
 H   -6.817100      -2.449300      0.6502000    
 H   -7.493800      -2.339900     -0.9846000    
 H   -7.446900     -0.9019000      5.0999999E-02


%chk=000005611-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005611

0 1
I -0.227030 -1.968772 1.769810
I 3.147555 3.012632 -0.006695
I -2.875357 3.171066 -0.343334
O 2.675615 -0.280317 -2.059967
O 4.838705 -0.243168 -1.219259
O -2.956493 -0.205765 -1.515487
N -2.494986 0.056643 0.759636
C 3.009205 -1.234268 0.134911
C 2.537696 -0.157198 1.179772
C 4.016732 -2.209950 0.792420
C 1.278423 0.600785 0.796359
C -0.017844 0.026798 0.945501
C 3.634651 -0.551870 -1.076125
C 4.434890 -3.373477 -0.130734
C 1.299873 1.926484 0.274268
C -1.228653 0.689469 0.592403
C 0.128539 2.626541 -0.078807
C -1.127524 2.014104 0.091253
C -4.564769 -1.123237 0.106718
C -3.289269 -0.388127 -0.314297
C -5.768019 -0.770493 -0.799555
C -7.004743 -1.637478 -0.487456
H 2.124491 -1.794690 -0.217159
H 2.359649 -0.702153 2.125202
H 3.369171 0.545598 1.363316
H 4.914114 -1.643346 1.106599
H 3.544909 -2.616062 1.709065
H 3.555321 -3.953588 -0.468050
H 5.113957 -4.066290 0.398005
H 4.967963 -3.001828 -1.023712
H 0.190403 3.646251 -0.462972
H -2.777073 -0.210866 1.705799
H -4.810502 -0.919947 1.167922
H -4.361545 -2.210984 0.024446
H -6.016064 0.301607 -0.677019
H -5.457750 -0.901503 -1.851933
H 3.103415 0.206367 -2.816844
H -6.787697 -2.711126 -0.644357
H -7.852862 -1.367036 -1.142069
H -7.335398 -1.510203 0.560928


