%chk=000161692.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161692

0 1
 O   -2.037400       1.794400      0.7851000    
 O   -4.755100       2.096600      0.1299000    
 O   -6.156500      0.2902000     -0.6289000    
 O    4.917300       1.682400     -0.5605000    
 O    5.758000     -0.8582000      0.1214000    
 O    2.045100       3.145800      0.3889000    
 N  -0.2137000      -2.115300     -8.6599998E-02
 C  -0.6936000     -0.7913000      0.3794000    
 C   0.2161000      0.2826000     -0.2674000    
 C   -2.170600     -0.5342000      7.8800000E-02
 C   -1.153500      -3.182400      0.2662000    
 C    1.120000      -2.403400      0.4683000    
 C    1.689600     -2.0800000E-02 -0.1467000    
 C   -2.451900      -2.985400     -0.5113000    
 C   -3.014800      -1.601000     -0.3284000    
 C    2.123600      -1.316500      0.1737000    
 C   -2.728100      0.7434000      0.2713000    
 C    2.634400      0.9819000     -0.4028000    
 C   -4.374600      -1.375800     -0.6011000    
 C    3.496000      -1.582300      0.2724000    
 C   -4.070500      0.9265000      5.5000000E-03
 C   -4.870200     -0.1028000     -0.4240000    
 C    3.998200      0.7049000     -0.3142000    
 C    4.428700     -0.5752000      2.6200000E-02
 C    2.202200       2.363700     -0.7861000    
 C   -6.075700       1.687200     -0.2803000    
 C   -2.068000       1.964300       2.202600    
 C    5.834500       1.453100      -1.627400    
 C    6.370300     -0.6727000       1.396000    
 H  -0.5892000     -0.7470000       1.473800    
 H   5.3300001E-02   1.241100      0.2264000    
 H  -3.1099999E-02  0.3902000      -1.332000    
 H   -1.347400      -3.196100       1.347200    
 H  -0.7422000      -4.162800     -4.1000000E-03
 H    1.487200      -3.337500      2.4800001E-02
 H    1.070100      -2.541500       1.556500    
 H   -3.179900      -3.732100     -0.1721000    
 H   -2.277900      -3.150800      -1.582100    
 H   -5.020300      -2.181900     -0.9337000    
 H    3.837400      -2.579700      0.5401000    
 H    2.940300       2.851300      -1.432600    
 H    1.266100       2.369700      -1.352900    
 H   -6.374300       2.284200      -1.149600    
 H   -6.775000       1.885300      0.5401000    
 H   -1.391500       2.783200       2.462000    
 H   -1.729900       1.057200       2.712700    
 H   -3.077500       2.226400       2.534200    
 H    1.766000       4.033400      0.1063000    
 H    6.039700       2.414900      -2.106600    
 H    5.428700      0.7746000      -2.386000    
 H    6.778000       1.064600      -1.234200    
 H    5.914900      -1.334400       2.139600    
 H    6.284200      0.3701000       1.717700    
 H    7.430500     -0.9242000       1.306400    


%chk=000161692-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161692

0 1
O -1.862402 1.264475 1.549635
O -4.903045 1.786284 1.065053
O -6.237245 0.239316 -0.169810
O 4.971488 1.639761 -0.462522
O 5.829996 -1.008770 0.341896
O 1.625231 2.950893 0.380172
N -0.202267 -2.255872 -0.154264
C -0.654103 -0.946433 0.389915
C 0.200570 0.140879 -0.315911
C -2.154441 -0.714821 0.208913
C -1.184464 -3.348802 -0.071746
C 1.132206 -2.597925 0.363129
C 1.688771 -0.156582 -0.184524
C -2.400532 -2.970897 -0.933249
C -2.987289 -1.646762 -0.464621
C 2.128052 -1.461036 0.161297
C -2.719203 0.480688 0.770782
C 2.649022 0.876956 -0.398712
C -4.374946 -1.389802 -0.660410
C 3.506680 -1.712974 0.346418
C -4.084716 0.726063 0.552833
C -4.879330 -0.192354 -0.161998
C 4.031008 0.597319 -0.250016
C 4.457594 -0.696263 0.161701
C 2.214576 2.266217 -0.807280
C -6.182844 1.632438 0.327557
C -2.196593 2.680505 1.785840
C 5.915136 1.392707 -1.578470
C 6.470958 -0.288541 1.466302
H -0.432839 -0.881954 1.486657
H -0.017020 1.127924 0.120511
H -0.093247 0.157327 -1.384399
H -1.514104 -3.561047 0.977936
H -0.709398 -4.268825 -0.461768
H 1.493452 -3.499364 -0.168839
H 1.101008 -2.861194 1.456149
H -3.173229 -3.761229 -0.878854
H -2.068999 -2.899926 -1.987314
H -5.018682 -2.112173 -1.168642
H 3.866289 -2.705996 0.639926
H 3.094531 2.828126 -1.168968
H 1.449924 2.212066 -1.609649
H -6.188472 2.326589 -0.537125
H -7.016605 1.800985 1.024326
H -1.319615 3.084570 2.312488
H -3.105805 2.778269 2.401926
H -2.341752 3.212168 0.827323
H 1.601192 3.924029 0.191601
H 6.590244 2.262485 -1.590024
H 5.364992 1.328514 -2.537196
H 6.483809 0.460732 -1.411507
H 5.993168 -0.574079 2.422888
H 6.399881 0.805178 1.324999
H 7.523406 -0.611941 1.461549


