%chk=000082407.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082407

0 1
 O    3.738200       2.141100      0.1712000    
 O   -3.307200       2.242900     -5.2499998E-02
 O    6.255100       1.717300      0.2421000    
 O   -8.221600      0.6687000     -0.2475000    
 N    3.730800     -0.1263000      0.1238000    
 N   -3.349000     -1.2100000E-02 -0.1025000    
 N    3.850500      -2.353700      8.2800001E-02
 N   -3.537400      -2.234500     -0.1542000    
 C   0.8964000     -7.5400002E-02  3.3300001E-02
 C  -0.5145000     -5.2700002E-02 -1.1800000E-02
 C    1.571500      -1.320900      2.9600000E-02
 C   -1.227700      -1.275600     -6.0100000E-02
 C    1.593700       1.155400      8.1100002E-02
 C   -1.173400       1.200000     -6.8999999E-03
 C    3.033900      -1.321200      7.7200003E-02
 C   -2.689300      -1.228900     -0.1063000    
 C    3.079600       1.113700      0.1279000    
 C   -2.659900       1.206400     -5.4400001E-02
 C   0.8498000      -2.517600     -1.8500000E-02
 C  -0.5432000      -2.495100     -6.3199997E-02
 C    5.076300     -0.4292000      0.1610000    
 C   0.9244000       2.381500      8.4799998E-02
 C  -0.4666000       2.403900      4.0600002E-02
 C   -4.703200     -0.2716000     -0.1520000    
 C    5.116100      -1.823200      0.1340000    
 C   -4.785900      -1.663500     -0.1831000    
 C    6.238900      0.3495000      0.2141000    
 C   -5.841100      0.5441000     -0.1728000    
 C    6.357200      -2.483100      0.1605000    
 C   -6.046800      -2.283200     -0.2365000    
 C   -7.087600     -8.9100003E-02 -0.2262000    
 C    7.465300     -0.3238000      0.2399000    
 C    7.525700      -1.716400      0.2137000    
 C   -7.191100      -1.479200     -0.2575000    
 C    6.933000       2.373500     -0.8240000    
 C   -8.168800       1.929600      0.4153000    
 C    6.829500       3.870800     -0.6265000    
 C   -9.551700       2.277700      0.9236000    
 H    1.359700      -3.477900     -2.1700000E-02
 H   -1.082500      -3.438500     -0.1001000    
 H    1.467200       3.321600      0.1215000    
 H  -0.9811000       3.360600      4.3800000E-02
 H   -5.735400       1.622000     -0.1776000    
 H    6.412700      -3.567000      0.1416000    
 H   -6.135600      -3.364700     -0.2612000    
 H    8.399900      0.2282000      0.3040000    
 H    8.491700      -2.213900      0.2401000    
 H   -8.169800      -1.951100     -0.2987000    
 H    6.472800       2.093500      -1.778900    
 H    7.992500       2.097600     -0.8473000    
 H   -7.497500       1.908400       1.283100    
 H   -7.831600       2.695400     -0.2919000    
 H    7.339000       4.407700      -1.431600    
 H    5.781100       4.185600     -0.6016000    
 H    7.273000       4.165100      0.3305000    
 H   -9.909500       1.514300       1.622600    
 H   -10.26880       2.312600      9.6699998E-02
 H   -9.550400       3.247000       1.429900    


%chk=000082407-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082407

0 1
O 3.793151 2.193829 -0.514610
O -3.329449 2.279718 0.055185
O 6.368615 1.652148 0.449323
O -8.298403 0.572391 0.285819
N 3.794486 -0.123057 -0.088289
N -3.313411 -0.057249 0.076961
N 3.918449 -2.428352 -0.177066
N -3.524134 -2.352090 0.100684
C 0.944997 -0.142315 -0.091272
C -0.491221 -0.128657 -0.036766
C 1.641092 -1.398052 -0.105245
C -1.206714 -1.378036 -0.000444
C 1.662414 1.098399 -0.156764
C -1.179448 1.131861 -0.026647
C 3.089609 -1.377035 -0.128538
C -2.650897 -1.332085 0.057867
C 3.154070 1.138763 -0.261563
C -2.667917 1.201756 0.037760
C 0.915136 -2.608173 -0.077718
C -0.496011 -2.598115 -0.025235
C 5.181041 -0.450876 -0.068638
C 0.961194 2.319153 -0.156106
C -0.451855 2.335723 -0.083062
C -4.702793 -0.325044 0.136919
C 5.222013 -1.888224 -0.149437
C -4.800953 -1.755979 0.150096
C 6.373715 0.294867 0.099883
C -5.818452 0.527429 0.178422
C 6.445243 -2.590066 -0.179298
C -6.075985 -2.367082 0.207408
C -7.083418 -0.114882 0.236490
C 7.594751 -0.424866 0.047940
C 7.633121 -1.835333 -0.100288
C -7.207810 -1.539549 0.250181
C 6.806175 2.609227 -0.605482
C -8.264924 2.052743 0.279285
C 6.740788 4.001363 0.011989
C -9.713287 2.526273 0.348529
H 1.470858 -3.550309 -0.090309
H -1.063668 -3.532890 0.000214
H 1.535888 3.248251 -0.217303
H -1.007556 3.278511 -0.073621
H -5.693436 1.610285 0.166076
H 6.449743 -3.680940 -0.246596
H -6.165798 -3.456614 0.217974
H 8.524951 0.136771 0.186732
H 8.603209 -2.342933 -0.116427
H -8.216634 -1.959556 0.295903
H 6.111601 2.516966 -1.461057
H 7.834401 2.346769 -0.930946
H -7.679461 2.407189 1.151665
H -7.766950 2.401334 -0.648051
H 7.057667 4.760904 -0.726031
H 5.706166 4.220840 0.323490
H 7.399459 4.072274 0.894883
H -10.199587 2.161521 1.269102
H -10.287190 2.156686 -0.518096
H -9.749339 3.630712 0.347323


