%chk=000260600.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260600

0 1
O -3.963700 -1.696311 1.073555
O -1.234132 0.354535 -0.661864
N 7.288949 0.933088 0.653882
N -3.551381 -0.950101 -1.048790
N 1.193933 -0.971665 -0.438177
N -2.333063 -1.650013 -1.139172
N 0.007043 -1.644169 -0.634150
C 6.056646 0.324949 0.288795
C 4.842156 1.049140 0.361698
C 6.002183 -1.055484 -0.027168
C 3.575449 -0.957914 -0.171946
C 3.626171 0.413869 0.138441
C 4.780381 -1.680320 -0.247037
C 8.531407 0.299679 0.133123
C 7.354915 2.418272 0.578825
C 2.305670 -1.657831 -0.418166
C -5.356351 0.092676 0.231589
C -6.671051 -0.355521 0.414639
C -5.076559 1.461645 0.118401
C -4.243889 -0.899822 0.200061
C -7.713386 0.574168 0.469915
C -6.123949 2.384297 0.180676
C -7.440246 1.941126 0.352522
C -1.161093 -0.848722 -0.758716
H 4.845203 2.109117 0.606674
H 6.915902 -1.642272 -0.085171
H 2.695009 0.986671 0.201397
H 4.763500 -2.744474 -0.483227
H 8.629445 0.354102 -0.962437
H 9.410142 0.785799 0.588117
H 8.561478 -0.762086 0.436375
H 8.310820 2.765953 1.003765
H 7.261362 2.814464 -0.444502
H 6.552181 2.855998 1.199321
H 2.392339 -2.744937 -0.570709
H -6.874861 -1.422326 0.518769
H -4.047573 1.807463 -0.002537
H -8.738229 0.232361 0.609518
H -5.913293 3.450066 0.097754
H -8.254775 2.663916 0.398675
H -3.590888 -0.151189 -1.697604
H -2.421095 -2.574409 -0.673219
H -0.012666 -2.643288 -0.867598


%chk=000260600-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260600

0 1
O -4.538847 -2.106070 -0.005516
O -1.074639 1.182588 -0.034456
N 7.828599 0.692102 0.018784
N -3.425818 -0.103627 -0.021972
N 1.358438 -0.307702 0.021186
N -2.227996 -0.824298 0.010190
N 0.099307 -0.889369 0.031663
C 6.503210 0.252190 0.026937
C 5.410600 1.184870 -0.000717
C 6.182813 -1.143824 0.063091
C 3.765417 -0.646554 0.042327
C 4.082369 0.743362 0.006649
C 4.845529 -1.571426 0.070419
C 8.925966 -0.283049 0.046974
C 8.130722 2.129518 -0.015222
C 2.389224 -1.133167 0.050134
C -5.884328 -0.057181 -0.060996
C -7.081437 -0.814998 -0.135215
C -5.961447 1.361082 -0.019348
C -4.600487 -0.823720 -0.027166
C -8.334300 -0.169524 -0.171756
C -7.216354 2.004766 -0.055895
C -8.406131 1.242714 -0.133214
C -1.044617 -0.082773 -0.000109
H 5.607333 2.260182 -0.028346
H 6.978169 -1.893708 0.085554
H 3.258847 1.464926 -0.015108
H 4.632614 -2.648280 0.098462
H 8.897186 -0.959771 -0.831267
H 9.890059 0.248704 0.032357
H 8.896539 -0.909878 0.961582
H 9.222453 2.273818 -0.016510
H 7.722289 2.614719 -0.924730
H 7.718459 2.657934 0.868087
H 2.257301 -2.236241 0.081126
H -6.996441 -1.906160 -0.161455
H -5.059715 1.981229 0.048915
H -9.252439 -0.764136 -0.229798
H -7.266856 3.098432 -0.022313
H -9.378662 1.746443 -0.161340
H -3.283224 0.910396 -0.054828
H -2.383274 -1.838672 0.025202
H -0.006329 -1.915344 0.061937


