%chk=000257320.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257320

0 1
O 2.572596 -0.213613 -0.543438
O -1.280348 -2.669776 -0.112284
N 0.747467 0.819878 0.362286
N -1.303304 -0.460082 0.511021
N -0.988811 1.602947 1.784450
C 0.862367 -1.664110 0.388106
C 1.496567 -2.835368 -0.391418
C 2.907146 -3.163785 0.108938
C 1.500496 -0.339834 -0.004766
C -0.649764 -1.688813 0.205112
C 3.489252 -4.372972 -0.636425
C -0.561931 0.726565 0.947994
C 1.316873 2.149032 0.142217
C -2.737773 -0.315189 0.316968
C 4.897206 -4.706045 -0.148929
C 1.591459 2.986806 1.232291
C -3.608329 -1.309465 0.789797
C 1.590932 2.548741 -1.175502
C -3.230909 0.827230 -0.336708
C 2.141551 4.248498 0.989676
C -4.984415 -1.147168 0.610448
C 2.147231 3.810920 -1.394836
C -4.609937 0.973513 -0.498403
C 2.420085 4.660800 -0.317304
C -5.487709 -0.007817 -0.024963
H 1.068167 -1.822044 1.486720
H 1.524607 -2.591688 -1.472998
H 0.838155 -3.727462 -0.299801
H 3.568391 -2.281495 -0.035432
H 2.897310 -3.364253 1.196520
H 3.511080 -4.168371 -1.725462
H 2.829810 -5.253384 -0.505731
H 4.909108 -4.955307 0.918000
H 5.584252 -3.864094 -0.296287
H 5.310796 -5.563930 -0.691113
H 1.360730 2.668000 2.249766
H -3.215434 -2.210053 1.264634
H 1.392308 1.879179 -2.010988
H -2.553032 1.586546 -0.725275
H -1.931570 1.558791 2.162041
H 2.354631 4.911608 1.827466
H -5.667048 -1.918306 0.968542
H 2.370427 4.131665 -2.411761
H -5.001754 1.857068 -1.002783
H 2.851879 5.643858 -0.496891
H -6.561611 0.112777 -0.157397


%chk=000257320-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257320

0 1
O 2.598870 -0.118352 -0.790535
O -1.333991 -2.586348 -0.473564
N 0.730748 0.916231 0.160082
N -1.326726 -0.362946 0.240651
N -1.162133 1.882883 1.180386
C 0.837475 -1.575691 0.105521
C 1.536146 -2.760524 -0.597587
C 2.849414 -3.194063 0.090949
C 1.472384 -0.221796 -0.243847
C -0.683275 -1.578725 -0.099202
C 3.519152 -4.384701 -0.630691
C -0.630627 0.852371 0.587418
C 1.381127 2.225143 0.103234
C -2.783609 -0.327068 0.270939
C 4.820122 -4.848415 0.059496
C 1.682895 2.914608 1.296391
C -3.488362 -1.125777 1.198412
C 1.722679 2.767921 -1.153590
C -3.477787 0.498646 -0.642971
C 2.328222 4.168185 1.227184
C -4.899837 -1.093307 1.212934
C 2.373563 4.019925 -1.215330
C -4.889163 0.533328 -0.616921
C 2.675325 4.722963 -0.026698
C -5.602490 -0.262536 0.309550
H 0.977991 -1.690863 1.206124
H 1.746946 -2.479662 -1.646428
H 0.823973 -3.605599 -0.621906
H 3.551926 -2.340190 0.121326
H 2.636659 -3.481168 1.143613
H 3.739093 -4.094669 -1.678098
H 2.803867 -5.230894 -0.684383
H 4.623943 -5.174356 1.098713
H 5.560148 -4.027107 0.099714
H 5.284210 -5.695721 -0.478139
H 1.395015 2.484756 2.259427
H -2.937845 -1.773653 1.887463
H 1.497779 2.210664 -2.067983
H -2.917852 1.101622 -1.365822
H -2.165222 1.759961 1.407123
H 2.558038 4.710465 2.150705
H -5.448468 -1.716290 1.927153
H 2.646284 4.441336 -2.188865
H -5.428434 1.173360 -1.323216
H 3.178441 5.695000 -0.076642
H -6.697417 -0.238950 0.324009


