%chk=000028354.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028354

0 1
 I   -3.239800      -3.173500      0.6706000    
 I    2.727500      -3.690900      0.6298000    
 O   -2.540300      0.4955000      0.2593000    
 O    2.662300      4.6399999E-02  0.2241000    
 O   -2.044500       4.387200       1.488700    
 O   -7.219000      0.4564000      0.5442000    
 O    4.537800       3.673800      -2.077600    
 O    5.096900      0.2990000       3.527500    
 O   -3.154000     -0.3290000      -1.826300    
 O    3.099400     -0.8701000      -1.867500    
 O  -0.3426000      -4.419500      0.4901000    
 N  -3.2600001E-02 -0.7183000      -1.089100    
 N   -3.682300       1.390200      0.1081000    
 N    3.939000      0.7321000      5.7300001E-02
 C   -1.284600      -1.190600     -0.6541000    
 C    1.125300      -1.399500     -0.6703000    
 C   -3.421300       2.483200       1.040600    
 C   -4.831300      0.5994000      0.5401000    
 C    3.623300       1.911500     -0.7436000    
 C    4.334200       1.111300       1.410900    
 C   -1.461900      -2.385300     -5.2000001E-02
 C    1.102400      -2.607800     -6.9499999E-02
 C   -2.449800     -0.2970000     -0.8379000    
 C    2.424000     -0.7189000     -0.8701000    
 C   6.1400000E-02  0.4380000      -1.995600    
 C  -0.2431000      -3.244000      0.1464000    
 C   -2.251400       3.328600      0.5628000    
 C   -6.131000       1.266700      0.1194000    
 C    4.892700       2.542900      -1.292700    
 C    4.703400     -0.1176000       2.226500    
 H   -3.219400       2.116500       2.056400    
 H   -4.293200       3.142200       1.127200    
 H   -4.825700      0.4139000       1.622700    
 H   -4.841700     -0.3951000      8.1799999E-02
 H    2.993700       1.668400      -1.608400    
 H    3.042300       2.652100     -0.1769000    
 H    5.208300       1.772900       1.393900    
 H    3.543000       1.671600       1.927800    
 H   0.9095000      0.3499000      -2.682500    
 H  -0.8210000      0.5344000      -2.636400    
 H   0.1738000       1.359600      -1.414800    
 H   -1.325800       2.746800      0.5045000    
 H   -2.457100       3.764700     -0.4206000    
 H   -6.254200       2.253200      0.5753000    
 H   -6.183900       1.371800     -0.9696000    
 H    5.437100       1.838100      -1.930500    
 H    5.559900       2.886800     -0.4972000    
 H    5.537600     -0.6597000       1.768700    
 H    3.854900     -0.7990000       2.338500    
 H   -1.296900       4.913700       1.157800    
 H   -8.035000      0.9000000      0.2560000    
 H    5.364300       4.052300      -2.423100    
 H    5.331400     -0.5029000       4.025100    


%chk=000028354-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028354

0 1
I -3.237172 -3.226224 0.858717
I 2.880487 -3.545513 0.620855
O -2.932169 0.448468 0.428350
O 2.963709 0.121183 0.219372
O -3.003244 4.372422 2.073957
O -7.668520 0.467385 -0.420688
O 5.024586 3.650276 -2.294433
O 6.086116 0.021762 3.109422
O -3.102537 -0.376199 -1.776276
O 2.788548 -0.603925 -2.019195
O -0.199916 -4.272757 1.259577
N -0.082844 -0.528603 -0.614603
N -4.115021 1.397281 0.129247
N 4.348540 0.721793 -0.108207
C -1.306605 -1.109487 -0.269725
C 1.102081 -1.223179 -0.348583
C -4.010693 2.384280 1.238950
C -5.374505 0.581630 0.206920
C 4.104623 2.010334 -0.837415
C 4.929569 0.936420 1.245649
C -1.366183 -2.347652 0.350150
C 1.079942 -2.465489 0.265527
C -2.548724 -0.334402 -0.661884
C 2.382475 -0.576177 -0.842223
C -0.032658 0.770218 -1.339222
C -0.166296 -3.142388 0.683490
C -2.845132 3.353780 1.025945
C -6.464350 1.287936 -0.614176
C 5.368674 2.385975 -1.626244
C 5.347718 -0.381345 1.901621
H -3.930505 1.892496 2.230283
H -4.953733 2.962101 1.221912
H -5.716706 0.430391 1.251359
H -5.190519 -0.401735 -0.249571
H 3.300108 1.851645 -1.571426
H 3.818929 2.838866 -0.155483
H 5.834352 1.554649 1.092392
H 4.243068 1.498561 1.913064
H 0.080462 0.605306 -2.423409
H -0.956447 1.335812 -1.153152
H 0.813281 1.367022 -0.963843
H -1.878152 2.818737 1.126099
H -2.913852 3.797450 0.010975
H -6.632125 2.324083 -0.250120
H -6.152412 1.326191 -1.676510
H 5.596757 1.580726 -2.351707
H 6.238899 2.521580 -0.950414
H 5.990297 -0.956359 1.203805
H 4.455889 -0.988509 2.150567
H -2.240728 5.002079 2.047760
H -8.382592 0.778651 -1.030680
H 5.757115 3.909781 -2.906749
H 6.270112 -0.774927 3.665775


