%chk=000212433.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212433

0 1
O -2.431336 1.640737 0.346603
O 4.498835 0.517330 0.332398
O -4.502659 1.287751 -0.532327
O 4.842217 -1.334037 -0.955805
N 0.432772 -1.390195 0.445001
N -3.244552 -0.496010 0.327627
N 3.316513 -1.388179 0.820490
C -0.869047 -1.059502 -0.218083
C 1.140137 -0.141042 0.883834
C 1.311443 -2.193413 -0.468587
C -4.218800 -1.567425 -0.137472
C -1.915309 -0.834422 0.897661
C 2.424813 -0.524810 1.644411
C 2.604357 -2.581666 0.277777
C -4.331196 -1.504226 -1.670612
C -3.731589 -2.961337 0.287445
C -5.577801 -1.274294 0.518393
C -3.496154 0.829171 -0.017359
C 4.244467 -0.781384 -0.051319
C -2.605192 3.095000 0.123842
C 5.630558 1.203051 -0.340227
C -2.338769 3.380927 -1.344096
C -1.576554 3.691275 1.071307
C 5.149709 1.678265 -1.699837
C 5.951986 2.322178 0.635670
H -1.189343 -1.905486 -0.862629
H -0.820015 -0.163707 -0.875224
H 1.385368 0.540770 0.040834
H 0.460598 0.421604 1.561808
H 0.764285 -3.119154 -0.750425
H 1.562395 -1.663155 -1.412556
H -1.589640 -0.000191 1.566548
H -1.996166 -1.732423 1.547021
H 2.171202 -1.102477 2.563474
H 2.976411 0.388158 1.963457
H 3.286784 -3.147793 -0.397209
H 2.367452 -3.239278 1.145777
H -5.012171 -2.272314 -2.049784
H -3.364653 -1.641715 -2.162170
H -4.733427 -0.532279 -1.999386
H -3.608978 -3.042534 1.374123
H -2.778645 -3.233746 -0.179824
H -4.462252 -3.724333 -0.007924
H -5.507381 -1.253620 1.610628
H -5.970511 -0.293196 0.202777
H -6.324061 -2.024116 0.241837
H -3.649504 3.352174 0.411437
H 6.456861 0.462543 -0.428795
H -1.376644 2.970728 -1.671059
H -2.334339 4.456086 -1.551967
H -3.119198 2.924713 -1.972953
H -1.778761 3.398181 2.109659
H -1.579219 4.785763 1.020453
H -0.562446 3.345540 0.834105
H 4.937324 0.820502 -2.356916
H 5.902093 2.297903 -2.199689
H 4.227922 2.266476 -1.623599
H 5.092255 2.988476 0.783732
H 6.791217 2.930107 0.279740
H 6.216136 1.921951 1.623661


%chk=000212433-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212433

0 1
O -2.686320 1.591080 0.328596
O 4.918593 0.600356 0.409096
O -4.884682 1.119248 -0.348115
O 5.246557 -1.395671 -0.800759
N 0.350673 -1.170910 0.064461
N -3.416987 -0.604453 0.349642
N 3.197913 -0.923884 0.241742
C -1.045633 -1.047289 -0.415729
C 0.973207 0.142536 0.372152
C 1.228696 -1.960188 -0.836061
C -4.447421 -1.702354 0.100637
C -2.026972 -0.904425 0.776387
C 2.335157 -0.054776 1.066258
C 2.592046 -2.207398 -0.162846
C -4.821652 -1.728104 -1.407945
C -3.873852 -3.086715 0.493361
C -5.705335 -1.437772 0.973251
C -3.765226 0.705921 0.071343
C 4.502573 -0.643358 -0.108715
C -2.954185 3.040761 0.039972
C 6.317226 1.016650 0.048374
C -2.761390 3.301684 -1.461061
C -1.980300 3.814258 0.933250
C 6.312076 1.648489 -1.351031
C 6.749726 1.974249 1.161646
H -1.299137 -1.957725 -0.991195
H -1.179628 -0.176035 -1.099993
H 1.120464 0.744580 -0.560909
H 0.304842 0.717218 1.037467
H 0.746657 -2.933670 -1.041044
H 1.395326 -1.442556 -1.814564
H -1.685520 -0.089430 1.432680
H -2.009597 -1.830710 1.367836
H 2.168154 -0.533964 2.052479
H 2.840886 0.909274 1.219227
H 3.289856 -2.716233 -0.846924
H 2.441051 -2.840555 0.734879
H -5.571940 -2.518382 -1.593688
H -3.931427 -1.943786 -2.027432
H -5.248166 -0.761362 -1.718735
H -3.669024 -3.162897 1.576121
H -2.956241 -3.343860 -0.065154
H -4.635382 -3.847204 0.246874
H -5.433372 -1.421203 2.044501
H -6.170724 -0.476338 0.708124
H -6.443229 -2.245575 0.814933
H -4.004384 3.240870 0.321867
H 6.935373 0.099808 0.042532
H -1.731820 3.046501 -1.771480
H -2.937032 4.370017 -1.685958
H -3.476870 2.704289 -2.050256
H -2.150618 3.577971 1.997667
H -2.119877 4.901103 0.789429
H -0.934232 3.563070 0.680594
H 5.976385 0.915062 -2.103067
H 7.332485 1.977662 -1.621606
H 5.644315 2.528387 -1.378316
H 6.094809 2.863384 1.190043
H 7.787166 2.311955 0.985507
H 6.705761 1.476297 2.145353


