%chk=000050478.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050478

0 1
 I   0.3432000       1.975000      -1.723800    
 I    4.199400      -2.456800     -3.8600001E-02
 I   -1.664100      -3.451700      0.2792000    
 O    3.808200     -0.1185000       1.956300    
 O    5.731200      0.3951000      0.8682000    
 O   -2.595300     -0.5412000       1.300700    
 N   -1.694100     -0.3882000     -0.8629000    
 C    3.637100       1.335800      5.5700000E-02
 C    3.173700      0.4715000      -1.137000    
 C    4.415600       2.568800     -0.4393000    
 C    2.017900     -0.4274000     -0.8133000    
 C   -5.104400      0.3777000      0.5134000    
 C   -6.376300      0.9330000     -0.1284000    
 C   -3.979900      0.2379000     -0.5105000    
 C   0.7069000      1.4900000E-02 -0.9903000    
 C    4.515500      0.4974000      0.9750000    
 C  -0.3611000     -0.8291000     -0.6858000    
 C    4.876800       3.468600      0.7005000    
 C    2.260800      -1.713700     -0.3315000    
 C   -7.511200       1.040800      0.8895000    
 C   -2.687100     -0.2777000      0.1063000    
 C  -0.1181000      -2.115400     -0.2042000    
 C    1.192900      -2.557700     -2.7000001E-02
 C   -8.787500       1.561000      0.2479000    
 H    2.780600       1.694900      0.6405000    
 H    2.944500       1.105500      -1.998800    
 H    4.020400     -9.3599997E-02  -1.543300    
 H    3.777300       3.158100      -1.108400    
 H    5.290400       2.260000      -1.024700    
 H   -5.312800     -0.6004000      0.9648000    
 H   -4.784400       1.039700       1.327600    
 H   -6.171500       1.921100     -0.5581000    
 H   -6.685100      0.2796000     -0.9535000    
 H   -4.280800     -0.4545000      -1.305800    
 H   -3.775000       1.212400     -0.9703000    
 H    5.350100       4.369000      0.2954000    
 H    4.029000       3.783500       1.317400    
 H    5.608600       2.975900       1.346600    
 H   -7.708600      5.7999998E-02   1.333400    
 H   -7.217500       1.712000       1.704800    
 H   -1.818900      0.2233000      -1.667900    
 H    1.382500      -3.561100      0.3488000    
 H   -8.633700       2.556800     -0.1800000    
 H   -9.585300       1.631400      0.9938000    
 H   -9.126500      0.8924000     -0.5500000    
 H    4.385800     -0.6493000       2.545200    


%chk=000050478-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050478

0 1
I 0.403260 1.871259 -1.772641
I 4.269449 -2.772347 -0.091661
I -1.665597 -3.769752 -0.387247
O 3.119054 0.219168 2.127560
O 5.348232 0.567760 1.582041
O -2.365796 -0.644484 1.071600
N -1.645050 -0.521553 -1.148197
C 3.562681 1.419650 0.079890
C 3.327974 0.384504 -1.081197
C 4.505757 2.552167 -0.395977
C 2.157821 -0.562149 -0.876479
C -4.961313 0.430264 0.492782
C -6.315713 0.954000 -0.032822
C -3.942890 0.194282 -0.638493
C 0.811262 -0.151291 -1.098260
C 4.137486 0.717196 1.304673
C -0.322809 -0.996199 -0.918286
C 4.674518 3.684771 0.638307
C 2.320369 -1.915847 -0.463181
C -7.347955 1.182336 1.095086
C -2.605694 -0.355008 -0.129300
C -0.078258 -2.339693 -0.526402
C 1.232167 -2.792874 -0.284443
C -8.704138 1.703789 0.573329
H 2.586350 1.846913 0.371751
H 3.153524 0.980707 -1.996216
H 4.260076 -0.186281 -1.238034
H 4.089395 2.968007 -1.334931
H 5.495353 2.119651 -0.637971
H -5.110271 -0.515538 1.047038
H -4.537238 1.145890 1.222603
H -6.161614 1.906689 -0.582728
H -6.734791 0.234365 -0.767860
H -4.357522 -0.523084 -1.377132
H -3.759286 1.140356 -1.190314
H 5.312950 4.490745 0.233905
H 3.698279 4.130040 0.908049
H 5.152841 3.312742 1.561468
H -7.501288 0.231477 1.644500
H -6.930645 1.900572 1.829794
H -1.863636 -0.140422 -2.072606
H 1.402972 -3.827407 0.016999
H -8.580949 2.666400 0.041557
H -9.421311 1.863713 1.399212
H -9.159335 0.985851 -0.135049
H 3.520527 -0.276534 2.892882


