%chk=000031697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031697

0 1
 I   -1.565400      -2.207600       1.275700    
 I    1.496900       2.964000      0.3339000    
 I   -4.381000       2.875200     -0.6770000    
 O   0.8271000     -0.1022000       1.093200    
 O    1.619500      -2.982000     -0.8081000    
 O    1.622100      -2.751800       1.446300    
 O   -5.434600      -1.604600     -0.8695000    
 N   -3.925200     -0.2127000      0.2924000    
 C    1.577100     -0.7427000      6.4999998E-02
 C    2.940900     -0.1403000     -2.1000000E-02
 C    3.613800     -5.8300000E-02  -1.240200    
 C  -0.3271000      0.5271000      0.7110000    
 C   -2.706100      0.4795000      0.3067000    
 C   -1.534600     -0.1685000      0.6985000    
 C    3.541600      0.3444000       1.140900    
 C    4.887200      0.5082000      -1.297300    
 C  -0.2865000       1.867700      0.3332000    
 C   -2.667700       1.821500     -7.1900003E-02
 C    1.598500      -2.244100      0.3326000    
 C    2.991700     -0.5713000      -2.497500    
 C    4.814900      0.9111000       1.083800    
 C   -1.458100       2.515500     -5.8600001E-02
 C    5.487600      0.9930000     -0.1352000    
 C   -4.709800     -0.2856000       1.560200    
 C   -4.404700     -0.9257000     -0.8557000    
 C   -3.618200     -0.8097000      -2.141300    
 H    1.032400     -0.6062000     -0.8773000    
 H    3.052000      0.2731000       2.108700    
 H    5.426200      0.5794000      -2.238200    
 H    2.869900      -1.655600      -2.466900    
 H    2.032100     -8.4799998E-02  -2.697200    
 H    3.625700     -0.3559000      -3.366000    
 H   -1.426700       3.562300     -0.3539000    
 H    5.284800       1.283900       1.989200    
 H    6.479500       1.433100     -0.1793000    
 H   -5.687400      0.1712000       1.380100    
 H   -4.194000      0.2374000       2.370200    
 H   -4.863300      -1.337000       1.819400    
 H   -2.571200      -1.078000      -1.983600    
 H   -3.686200      0.2045000      -2.539000    
 H   -4.031800      -1.498900      -2.884200    
 H    1.647500      -3.944400     -0.6203000    


%chk=000031697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031697

0 1
I -1.638344 -2.339598 0.926990
I 1.527675 2.912038 1.648933
I -4.094395 3.084711 -0.691173
O 0.853720 -0.267539 1.555230
O 2.189011 -3.454485 0.593294
O 2.387782 -2.368420 2.642796
O -5.135814 -1.264377 -1.750084
N -3.793428 -0.167288 -0.195099
C 1.654163 -1.128110 0.607499
C 2.853034 -0.378869 0.042430
C 2.905824 -0.026969 -1.339518
C -0.234780 0.429974 1.018760
C -2.573358 0.500891 0.148666
C -1.447262 -0.220312 0.644235
C 3.915973 -0.027997 0.913060
C 4.040656 0.686006 -1.801913
C -0.193654 1.851447 0.963349
C -2.462497 1.917747 0.069493
C 2.097971 -2.336510 1.433893
C 1.801828 -0.396089 -2.319772
C 5.034942 0.680725 0.432855
C -1.297964 2.590763 0.490025
C 5.095969 1.040351 -0.932743
C -4.814677 -0.316277 0.866701
C -4.048881 -0.675300 -1.485642
C -2.950259 -0.472500 -2.523204
H 0.998133 -1.488876 -0.199668
H 3.849215 -0.300351 1.972380
H 4.096007 0.965916 -2.860535
H 1.684351 -1.492405 -2.413192
H 0.821126 0.019304 -2.018945
H 2.030106 -0.002697 -3.324303
H -1.245827 3.680516 0.446849
H 5.848766 0.950842 1.114155
H 5.959899 1.591595 -1.320595
H -5.681259 -0.822725 0.413150
H -5.124793 0.671920 1.250598
H -4.425033 -0.930496 1.698421
H -2.027529 -1.009981 -2.237141
H -2.702073 0.596946 -2.645267
H -3.313042 -0.871830 -3.481256
H 2.548117 -4.227488 1.108084


