%chk=000296041.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296041

0 1
O -3.370635 -1.165814 -0.031034
O -3.187049 1.170769 0.026843
O -1.570067 -2.531497 0.016086
O -1.187705 2.217607 0.009177
N 1.015368 0.732635 0.014054
N 2.928709 -0.685152 0.010426
N 4.767018 -2.138648 0.122605
C -1.231082 -0.165210 0.009802
C 2.437597 0.589198 0.018488
C 0.145389 -0.329264 0.014596
C 3.246301 1.741812 0.018853
C -2.020585 -1.399226 -0.002283
C -1.825007 1.164353 0.017595
C 4.300043 -0.831475 0.028932
C -4.252624 -2.334570 -0.065761
C -3.856889 2.475887 0.059142
C 4.634537 1.558966 0.015673
C 5.183337 0.282027 0.016453
C -4.284752 -2.915877 -1.464319
C -3.822095 3.035249 1.465745
H 0.569239 -1.361007 0.018358
H 0.624671 1.708967 0.011314
H 2.817285 2.738705 0.020991
H -3.906561 -3.062117 0.689465
H -5.208954 -1.871032 0.237578
H -3.374137 3.141154 -0.677939
H -4.870365 2.183081 -0.271558
H 5.289747 2.433201 0.012539
H 6.257512 0.135454 0.025088
H -3.318900 -3.378636 -1.719481
H -4.479269 -2.140019 -2.215891
H -5.058035 -3.685110 -1.563426
H -2.799714 3.328071 1.748954
H -4.160117 2.292332 2.200351
H -4.460396 3.920297 1.563168
H 5.715184 -2.341164 -0.144943
H 4.106301 -2.897148 0.010459


%chk=000296041-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296041

0 1
O -3.400490 -1.306145 -0.036250
O -3.217441 1.331480 0.030073
O -1.438182 -2.555378 -0.003729
O -1.098812 2.274114 0.034272
N 1.009743 0.745630 0.013230
N 2.901932 -0.675475 0.003494
N 4.692014 -2.166897 -0.006027
C -1.277968 -0.135625 0.003829
C 2.417723 0.593908 0.012951
C 0.121012 -0.281645 0.002594
C 3.237255 1.749196 0.022213
C -2.012533 -1.427535 -0.013055
C -1.839371 1.223812 0.024850
C 4.256726 -0.854212 0.003498
C -4.163621 -2.589514 -0.073593
C -3.775461 2.719005 0.077053
C 4.637279 1.547731 0.022320
C 5.170982 0.246402 0.013303
C -4.310629 -3.093617 -1.512867
C -3.859795 3.221826 1.521358
H 0.543707 -1.290436 -0.007635
H 0.571283 1.692338 0.021773
H 2.800628 2.751656 0.028582
H -3.645622 -3.332595 0.557875
H -5.135934 -2.319501 0.369495
H -3.144138 3.380184 -0.541521
H -4.772197 2.601726 -0.377542
H 5.310761 2.411210 0.029523
H 6.251752 0.075308 0.014200
H -3.327523 -3.368190 -1.930177
H -4.768994 -2.320383 -2.153507
H -4.958532 -3.990185 -1.532936
H -2.851763 3.343598 1.951293
H -4.434775 2.518271 2.147751
H -4.368481 4.203810 1.546121
H 5.679937 -2.400780 -0.006498
H 3.992826 -2.906295 -0.010217


