%chk=000212650.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212650

0 1
O -2.397859 1.045924 -2.110802
O 3.530206 2.201210 0.479018
O -2.233134 1.653154 2.477797
O -0.059209 -0.634658 1.281271
N -3.241063 -0.044163 1.184986
N 2.122906 -1.053531 0.572628
N -2.194227 1.703803 0.120331
N 1.563610 1.100157 1.085668
N 0.067989 2.590188 -0.077476
C -3.236149 -0.420835 -0.268947
C 3.376836 -0.285372 0.317206
C -2.394981 -1.675267 -0.552241
C -4.679335 -0.544305 -0.787431
C 4.492925 -0.663668 1.305377
C 3.821635 -0.404435 -1.149710
C -3.092573 -2.956677 -0.084401
C -5.349002 -1.835424 -0.303781
C 5.105728 -2.030355 0.979788
C 4.442780 -1.772849 -1.450378
C -4.510454 -3.069454 -0.659099
C 5.581846 -2.099797 -0.476628
C -2.551161 0.820226 -0.939087
C 2.901587 1.180584 0.602957
C -2.493996 1.132148 1.416677
C 1.056227 -0.249958 1.004242
C -1.384423 2.934163 -0.036247
C 0.673060 2.286194 1.244863
C 0.852748 3.568953 -0.876981
H -1.398777 -1.585590 -0.061928
H -2.194073 -1.731669 -1.642300
H -4.661002 -0.517616 -1.897244
H -5.276076 0.332186 -0.464623
H 4.107798 -0.658063 2.344145
H 5.279963 0.119973 1.267774
H 4.558110 0.399874 -1.362837
H 2.964568 -0.219359 -1.828068
H -3.129854 -2.987050 1.021728
H -2.490497 -3.834789 -0.387951
H -6.357129 -1.919750 -0.752781
H -5.507319 -1.787050 0.791618
H 4.370258 -2.833614 1.177218
H 5.954771 -2.225563 1.663883
H 4.821280 -1.784503 -2.491341
H 3.666433 -2.560513 -1.404617
H -4.461589 -3.186350 -1.759198
H -5.001921 -3.983381 -0.276409
H 6.421515 -1.393847 -0.630939
H 5.987607 -3.105884 -0.693898
H -3.225065 -0.790656 1.875622
H 2.084481 -2.057087 0.492482
H -1.674554 3.406046 -1.010602
H -1.652275 3.624000 0.803094
H 1.307216 3.113430 1.649570
H -0.110245 2.023745 2.006791
H 0.746676 4.613746 -0.548921
H 0.543953 3.493276 -1.934011
H 1.927930 3.311001 -0.834558


%chk=000212650-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212650

0 1
O -2.443005 1.152962 -1.963845
O 3.800613 2.296224 0.574680
O -2.274162 1.373315 2.732711
O 0.056313 -0.540987 1.005926
N -3.274568 -0.193863 1.237699
N 2.341679 -0.950508 0.506852
N -2.232736 1.592625 0.352548
N 1.719554 1.185284 0.865308
N -0.034993 2.703755 0.047329
C -3.360834 -0.411266 -0.226955
C 3.596959 -0.185569 0.341811
C -2.613629 -1.700194 -0.679383
C -4.833124 -0.423071 -0.734508
C 4.677698 -0.576863 1.392388
C 4.176263 -0.298667 -1.099410
C -3.372277 -2.983487 -0.268736
C -5.580396 -1.707786 -0.310220
C 5.277223 -1.974386 1.112869
C 4.776020 -1.697004 -1.373445
C -4.832471 -2.977572 -0.780396
C 5.847326 -2.071323 -0.322029
C -2.629559 0.848231 -0.755767
C 3.095673 1.255341 0.601128
C -2.567322 0.940421 1.588872
C 1.239406 -0.166843 0.810949
C -1.450090 2.854461 0.310150
C 0.866752 2.378419 1.133370
C 0.521256 3.107754 -1.249468
H -1.596185 -1.685374 -0.250895
H -2.520530 -1.655017 -1.782035
H -4.803064 -0.349005 -1.839028
H -5.355368 0.475178 -0.355126
H 4.233008 -0.537023 2.404374
H 5.472239 0.192837 1.350053
H 4.959881 0.476593 -1.202083
H 3.380552 -0.064704 -1.831484
H -3.368411 -3.088180 0.837020
H -2.831646 -3.865883 -0.661462
H -6.605811 -1.689160 -0.726014
H -5.691277 -1.728987 0.794067
H 4.500119 -2.754358 1.256944
H 6.068630 -2.185935 1.856419
H 5.213028 -1.712741 -2.389690
H 3.970217 -2.460866 -1.370646
H -4.828866 -3.006474 -1.889406
H -5.364108 -3.885105 -0.435470
H 6.708945 -1.379717 -0.418610
H 6.230396 -3.091657 -0.513096
H -3.516424 -0.895356 1.933997
H 2.263374 -1.961119 0.419634
H -1.892501 3.479689 -0.483946
H -1.637371 3.329300 1.291968
H 1.604152 3.184057 1.334053
H 0.272631 2.183792 2.042956
H 0.832330 4.175403 -1.278525
H -0.226341 2.925894 -2.040626
H 1.409531 2.495415 -1.492469


