%chk=000118280.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118280

0 1
 O   -1.132100      -2.462900     -0.6234000    
 O   -3.768200      -3.833800     -0.3281000    
 O   -3.728200       3.344100      0.2315000    
 O    4.393100      0.6365000     -0.9515000    
 N   -3.157300     -0.2810000      0.5174000    
 C   -3.671400      -1.439900     -0.1997000    
 C   -3.254500      -2.756400      0.4604000    
 C   -3.520400      0.9551000     -0.1623000    
 C   -3.003400       2.174700      0.6105000    
 C   -1.741000      -2.920100      0.5803000    
 C   -1.535200       2.420300      0.3404000    
 C   -1.148800       3.246500     -0.7148000    
 C  -0.5679000       1.820900       1.147100    
 C   0.1221000      -1.924800     -0.5125000    
 C   0.2048000       3.473100     -0.9636000    
 C   0.7859000       2.047500      0.8984000    
 C    2.675800     -0.8254000     -0.2841000    
 C   0.9844000      -2.366600      0.4910000    
 C   0.5366000     -0.9333000      -1.401800    
 C    1.172100       2.873700     -0.1569000    
 C    2.261200      -1.816900      0.6052000    
 C    1.813400     -0.3836000      -1.287600    
 C    4.006900     -0.2519000     -0.1643000    
 C    4.956900     -0.7399000      0.9438000    
 C    6.315100     -5.5900000E-02  0.9246000    
 H   -3.349600      -1.430400      -1.249500    
 H   -4.768400      -1.405500     -0.2281000    
 H   -3.712700      -2.845100       1.452700    
 H   -4.613900       1.020900     -0.2293000    
 H   -3.144000      0.9660000      -1.193600    
 H   -3.165500       2.055800       1.689300    
 H   -2.143300     -0.3432000      0.5850000    
 H   -1.411700      -2.331500       1.446300    
 H   -1.474900      -3.972100      0.7349000    
 H   -1.880400       3.714500      -1.367600    
 H  -0.8535000       1.179400       1.976400    
 H   -3.554900      -4.663000      0.1330000    
 H   -4.663800       3.192800      0.4493000    
 H   0.5063000       4.113400      -1.787500    
 H    1.538500       1.586000       1.530900    
 H   0.7115000      -3.155900       1.185200    
 H  -0.1323000     -0.5840000      -2.183600    
 H    2.226100       3.050200     -0.3503000    
 H    2.899500      -2.194600       1.397500    
 H    2.113600      0.3848000      -1.995000    
 H    4.485800     -0.5482000       1.914000    
 H    5.112700      -1.817000      0.8192000    
 H    6.947900     -0.4412000       1.729800    
 H    6.210800       1.025900       1.058000    
 H    6.827500     -0.2289000     -2.7400000E-02


%chk=000118280-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118280

0 1
O -0.868320 -1.948111 -0.521190
O -3.346177 -3.721894 -0.760927
O -4.493013 3.378569 0.739672
O 5.323829 -0.387174 -1.216040
N -3.237184 -0.153807 0.258124
C -3.672138 -1.374335 -0.456491
C -3.100939 -2.644790 0.209518
C -4.096387 1.030575 0.064063
C -3.581494 2.232113 0.909282
C -1.624765 -2.511382 0.610187
C -2.197349 2.683512 0.466694
C -2.048866 3.602021 -0.602406
C -1.039096 2.141710 1.078721
C 0.502121 -1.735527 -0.353541
C -0.761253 3.963868 -1.056085
C 0.249738 2.493964 0.615782
C 3.292667 -1.210488 -0.223388
C 1.223960 -2.042995 0.829258
C 1.170986 -1.167359 -1.470459
C 0.391977 3.405561 -0.455247
C 2.608184 -1.779715 0.881879
C 2.545105 -0.909185 -1.400071
C 4.761983 -0.914798 -0.208909
C 5.573564 -1.264625 1.046641
C 7.065422 -0.912585 0.920783
H -3.367240 -1.393768 -1.524571
H -4.774509 -1.438247 -0.427521
H -3.648767 -2.842053 1.158496
H -5.120585 0.769521 0.404282
H -4.174442 1.368782 -0.997325
H -3.548059 1.908364 1.971018
H -2.259969 0.066856 0.016169
H -1.551655 -1.826355 1.478528
H -1.204793 -3.501020 0.887548
H -2.945761 4.042925 -1.048273
H -1.145862 1.450385 1.924170
H -3.105515 -4.594844 -0.359446
H -5.408115 3.101973 0.999848
H -0.655639 4.681375 -1.877909
H 1.137753 2.059899 1.089063
H 0.725306 -2.478580 1.699701
H 0.589014 -0.938652 -2.368116
H 1.390000 3.681083 -0.813938
H 3.151919 -2.024368 1.800389
H 3.079913 -0.469313 -2.248172
H 5.124161 -0.738196 1.913970
H 5.447281 -2.346982 1.255513
H 7.607691 -1.181955 1.844931
H 7.201010 0.166120 0.733068
H 7.525512 -1.446974 0.072324


