%chk=000123739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123739

0 1
 O    2.547600      -2.776000     -0.1450000    
 O    4.701000       1.270700      0.8539000    
 O   -5.220700     -0.4666000       1.695200    
 O   -6.290100     -5.4600000E-02 -0.8375000    
 N    2.393400       1.300500      0.5573000    
 N    3.647900     -0.7618000      0.3573000    
 N   2.4499999E-02  -1.168400     -0.1929000    
 N  -2.4800001E-02   1.027300      0.1900000    
 C    1.315800     -0.7927000      4.3400001E-02
 C    1.257300      0.5545000      0.2748000    
 C    2.280200       2.733900      0.7963000    
 C    2.514700      -1.566400      6.4800002E-02
 C    3.655500      0.6577000      0.6095000    
 C  -0.7452000     -3.8199998E-02 -9.3699999E-02
 C    4.937800      -1.442100      0.4078000    
 C    2.417100       3.548600     -0.4843000    
 C    5.633300      -1.469300     -0.9479000    
 C   -2.178900     -4.3200001E-02 -0.2823000    
 C  -0.4420000      -2.503800     -0.4908000    
 C    2.321900       5.048100     -0.2406000    
 C    6.969900      -2.196400     -0.9090000    
 C   -3.021700     -0.2545000      0.8066000    
 C   -2.712100      0.1640000      -1.552600    
 C   -4.404500     -0.2583000      0.6245000    
 C   -4.095000      0.1601000      -1.734800    
 C   -4.941200     -5.0900001E-02 -0.6462000    
 C   -5.575800      -1.816900       1.986300    
 C   -6.966100       1.194600     -0.7098000    
 H    3.069000       3.031300       1.497900    
 H    1.325500       2.945800       1.292600    
 H    4.789500      -2.468700      0.7636000    
 H    5.582700     -0.9469000       1.143200    
 H    3.377300       3.325300     -0.9649000    
 H    1.637500       3.253300      -1.196800    
 H    4.985600      -1.955100      -1.687600    
 H    5.794300     -0.4444000      -1.303100    
 H   -1.522800      -2.525800     -0.6349000    
 H   5.0900001E-02  -2.841000      -1.406500    
 H  -0.1771000      -3.152900      0.3481000    
 H    3.114100       5.384900      0.4355000    
 H    2.423900       5.593300      -1.184000    
 H    1.356100       5.310700      0.2026000    
 H    6.839100      -3.237900     -0.5987000    
 H    7.433700      -2.191800      -1.900200    
 H    7.657500      -1.712100     -0.2084000    
 H   -2.610700     -0.4162000       1.800900    
 H   -2.065100      0.3297000      -2.410600    
 H   -4.506200      0.3210000      -2.727800    
 H   -6.114400      -2.263800       1.144600    
 H   -6.231700      -1.817600       2.861100    
 H   -4.683100      -2.406800       2.217300    
 H   -6.598200       1.907400      -1.454700    
 H   -6.835600       1.602500      0.2975000    
 H   -8.032400       1.026400     -0.8833000    


%chk=000123739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000123739

0 1
O 3.020353 -2.918088 -0.769549
O 4.629912 1.122518 1.062277
O -5.008281 1.305476 1.166565
O -6.435605 -0.461357 -0.697497
N 2.317381 0.922557 0.770933
N 3.797700 -0.887125 0.163257
N 0.178724 -1.608449 -0.551619
N -0.072289 0.490733 0.326319
C 1.460562 -1.138521 -0.214554
C 1.260561 0.145931 0.318252
C 2.088169 2.293116 1.293040
C 2.758696 -1.754400 -0.320174
C 3.639089 0.431906 0.684917
C -0.725267 -0.592970 -0.214124
C 5.194855 -1.397311 0.083115
C 2.150222 3.365231 0.183105
C 5.889786 -0.997863 -1.237217
C -2.187919 -0.617825 -0.358807
C -0.080059 -2.960934 -1.082544
C 1.912921 4.777268 0.758389
C 7.333021 -1.541142 -1.292739
C -2.931790 0.305553 0.429258
C -2.898850 -1.480504 -1.240648
C -4.332362 0.366835 0.351556
C -4.301808 -1.401685 -1.338843
C -5.033125 -0.475224 -0.565392
C -5.895893 0.698805 2.187528
C -7.024178 0.838139 -1.108766
H 2.865893 2.487138 2.050952
H 1.094424 2.295522 1.773614
H 5.138198 -2.495693 0.165253
H 5.747824 -0.983252 0.942437
H 3.141751 3.317966 -0.304699
H 1.386841 3.136344 -0.584374
H 5.303859 -1.394549 -2.087672
H 5.898905 0.105067 -1.318796
H -0.915323 -3.429252 -0.536873
H -0.316639 -2.924127 -2.160411
H 0.838335 -3.554000 -0.953965
H 2.679910 5.035048 1.512563
H 1.955702 5.540365 -0.039063
H 0.920707 4.851113 1.242003
H 7.347513 -2.645137 -1.223907
H 7.826706 -1.256068 -2.239035
H 7.942050 -1.139928 -0.461071
H -2.405816 0.974908 1.115379
H -2.372828 -2.183242 -1.889510
H -4.854881 -2.041069 -2.033784
H -6.661826 0.055360 1.717223
H -6.369087 1.546956 2.704800
H -5.297455 0.106329 2.904858
H -6.706250 1.081852 -2.139669
H -6.720557 1.646686 -0.421271
H -8.113284 0.685495 -1.077325


