%chk=000065492.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065492

0 1
 I  -0.4398000      -3.259800      0.3259000    
 I   -2.698000       2.156600      -1.361500    
 I    3.075800       1.726700      0.5708000    
 O    3.160200      -4.619200      -1.032100    
 O    5.686900      -1.263400     -0.7925000    
 O   -5.624000     -0.4773000      -1.694700    
 O   -5.250000      -1.327500       2.498600    
 O    2.298500      -1.537300       2.046700    
 O   -2.757200      -1.471700      -1.874300    
 O    1.036400       6.259500      0.8264000    
 O   0.8870000       3.735700       1.607800    
 N    2.989100      -1.946000     -0.1287000    
 N   -3.448000      -1.103600      0.3080000    
 N   0.3111000       2.958000     -0.5345000    
 C    4.114000      -2.788500      0.2080000    
 C   -4.752200      -1.719700      0.1754000    
 C    1.038200     -0.5640000      0.3256000    
 C   -1.246900     -0.3942000     -0.4404000    
 C  -0.1872000      -1.165000      3.7700001E-02
 C   0.1444000       1.578600     -0.3431000    
 C   -1.081000      0.9776000     -0.6308000    
 C    1.203900      0.8079000      0.1352000    
 C    2.150200      -1.372800      0.8277000    
 C   -2.552800      -1.033500     -0.7453000    
 C    4.334400      -3.827800     -0.8888000    
 C    5.366000      -1.939100      0.4182000    
 C   -5.777300     -0.6901000     -0.2959000    
 C   -5.172400      -2.343000       1.504600    
 C   0.6535000       3.924300      0.4172000    
 C   0.7357000       5.320800     -0.1941000    
 C    1.801700       5.398000      -1.276900    
 H    3.872100      -3.306200       1.144200    
 H   -4.672900      -2.518000     -0.5731000    
 H    2.827200      -1.731200      -1.108900    
 H   -3.203000     -0.6764000       1.197000    
 H    4.539800      -3.359200      -1.857300    
 H    5.167900      -4.490400     -0.6338000    
 H    5.208200      -1.189700       1.200500    
 H    6.217200      -2.566500      0.7020000    
 H   -5.662900      0.2695000      0.2198000    
 H   -6.797000      -1.056300     -0.1369000    
 H   -6.149700      -2.829100       1.421000    
 H   -4.437100      -3.085500       1.832900    
 H  -0.2067000       3.326400      -1.330600    
 H  -0.2482000       5.572600     -0.6059000    
 H    3.339400      -5.270900      -1.731200    
 H    6.486500     -0.7373000     -0.6215000    
 H   -6.292300      0.1780000      -1.958400    
 H   -5.516700      -1.760400       3.327500    
 H    2.786600       5.139800     -0.8721000    
 H    1.878800       6.418900      -1.666200    
 H    1.590000       4.725900      -2.113900    
 H   0.9694000       7.148000      0.4367000    


%chk=000065492-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065492

0 1
I -0.728203 -2.885663 1.143259
I -2.607479 2.154779 -1.873525
I 3.389805 1.253034 -0.830166
O 4.701270 -2.759466 -1.968769
O 4.845406 -2.379266 2.374098
O -4.086738 -0.494229 3.317305
O -5.208257 -2.872670 -0.172443
O 2.525859 -1.118958 1.934387
O -3.161363 -1.564092 -1.334160
O 0.628568 4.734747 -3.403195
O 1.274872 3.905145 0.118844
N 2.729868 -2.360141 -0.059712
N -3.497102 -0.381705 0.682191
N 0.584341 2.679449 -1.769984
C 3.881936 -3.261176 0.221832
C -4.893181 -0.714266 1.073765
C 1.070687 -0.589747 0.071895
C -1.335916 -0.270142 -0.408401
C -0.274723 -1.025643 0.150854
C 0.311800 1.440785 -1.133008
C -1.023378 0.958097 -1.036348
C 1.350485 0.634179 -0.587461
C 2.189193 -1.386184 0.734194
C -2.763962 -0.801530 -0.391160
C 5.109510 -2.750434 -0.550349
C 4.192262 -3.500441 1.718228
C -4.839965 -1.415011 2.442926
C -5.707864 -1.522024 0.039411
C 1.030120 3.825091 -1.114439
C 1.242528 5.017023 -2.082850
C 0.756045 6.336848 -1.470932
H 3.603647 -4.242398 -0.215674
H -5.415520 0.255762 1.218205
H 2.429812 -2.380515 -1.039817
H -3.002423 0.135373 1.419536
H 5.376477 -1.734430 -0.203474
H 5.965348 -3.433533 -0.376557
H 3.261854 -3.802900 2.242553
H 4.909186 -4.338899 1.772560
H -4.336908 -2.395430 2.342156
H -5.871366 -1.563653 2.821446
H -6.730889 -1.631957 0.442540
H -5.765179 -0.954211 -0.910754
H 0.356336 2.827076 -2.764352
H 2.328533 5.069772 -2.285505
H 5.369704 -2.281768 -2.517678
H 4.127715 -1.683378 2.485172
H -3.833676 -0.945691 4.158614
H -4.414678 -2.764836 -0.778392
H -0.343786 6.336178 -1.342197
H 1.043985 7.189247 -2.109714
H 1.203140 6.467500 -0.471915
H -0.250933 5.188501 -3.451042


