%chk=000236725.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236725

0 1
O -4.130563 1.279256 0.463050
O 2.208624 2.731794 -1.542853
O -3.897209 -0.739602 1.457439
N 4.903464 0.842616 -0.241603
N 2.116884 0.668336 -0.504229
C 6.956216 -0.243321 0.678265
C 6.209217 0.206338 -0.602446
C 8.392087 -0.640033 0.315796
C 6.227790 -1.402098 1.364544
C -6.290224 0.675648 -0.486872
C 4.270736 1.512857 -1.411518
C -5.567630 1.276787 0.732183
C -7.585743 1.446568 -0.759943
C -6.570224 -0.814036 -0.278067
C 2.775317 1.728955 -1.156575
C 0.732442 0.609665 -0.178538
C -1.971160 0.361464 0.495364
C -3.388290 0.190933 0.868882
C 0.285057 -0.529235 0.533379
C -0.176494 1.619414 -0.547370
C -1.059736 -0.645141 0.863633
C -1.520086 1.489936 -0.209193
H 6.999642 0.618810 1.390900
H 6.863258 0.877104 -1.200326
H 5.990371 -0.677647 -1.241179
H 8.418720 -1.465124 -0.404777
H 8.942603 -0.973758 1.203652
H 8.951081 0.196599 -0.116080
H 5.184653 -1.139917 1.581370
H 6.706979 -1.670386 2.311987
H 6.210960 -2.301136 0.738969
H -5.609712 0.791554 -1.370572
H 5.046121 1.533844 0.506203
H 4.719404 2.499825 -1.671288
H 4.373530 0.880370 -2.325068
H -5.766455 0.731723 1.670684
H -5.760043 2.355638 0.865652
H -8.267965 1.415270 0.096680
H -8.123105 1.016751 -1.613714
H -7.390226 2.498182 -0.995697
H -7.337178 -0.985218 0.484937
H -5.665788 -1.344419 0.058371
H -6.911702 -1.291486 -1.201418
H 2.702985 -0.109331 -0.162254
H 0.981541 -1.312352 0.823606
H 0.170593 2.503290 -1.095519
H -1.421969 -1.519923 1.413365
H -2.235573 2.269438 -0.490914


%chk=000236725-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236725

0 1
O -4.050978 1.307868 0.325154
O 2.330313 2.786787 -2.311528
O -3.484716 -0.210877 2.015610
N 4.970214 1.105202 -0.347214
N 2.326876 1.229480 -0.523459
C 6.497169 -0.583471 0.725187
C 6.099765 0.163605 -0.571686
C 7.800770 -1.382724 0.492204
C 5.362682 -1.504265 1.229556
C -6.265711 0.571654 -0.521176
C 4.453436 1.808769 -1.545912
C -5.496210 1.185787 0.663235
C -7.783480 0.641909 -0.224263
C -5.808734 -0.876778 -0.802797
C 2.918854 2.010173 -1.502643
C 0.964854 1.099329 -0.178481
C -1.740039 0.758934 0.616767
C -3.139376 0.548121 1.073348
C 0.633249 0.219928 0.892289
C -0.069766 1.807705 -0.853298
C -0.703156 0.053409 1.283778
C -1.406115 1.631680 -0.451729
H 6.700579 0.181277 1.507309
H 6.999107 0.683545 -0.978827
H 5.778678 -0.574575 -1.333148
H 7.657231 -2.146584 -0.296190
H 8.110498 -1.907737 1.413787
H 8.632263 -0.723452 0.179935
H 4.426185 -0.938508 1.381986
H 5.636575 -1.981667 2.188080
H 5.160854 -2.307995 0.495642
H -6.053192 1.190126 -1.416970
H 5.193772 1.765931 0.410879
H 4.908679 2.803439 -1.726853
H 4.669302 1.197124 -2.442329
H -5.597818 0.567251 1.574040
H -5.835003 2.217446 0.865496
H -8.039797 0.047312 0.673570
H -8.362387 0.234091 -1.072429
H -8.119585 1.682060 -0.053189
H -5.995828 -1.525002 0.074171
H -4.729197 -0.917176 -1.031841
H -6.356173 -1.298686 -1.665466
H 3.053694 0.700632 0.001359
H 1.429695 -0.328565 1.410376
H 0.193465 2.478439 -1.673737
H -0.971215 -0.618245 2.105707
H -2.207081 2.172094 -0.963403


