%chk=000226141.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226141

0 1
O 0.690633 -1.063950 0.596454
O 0.326576 -1.192202 -1.635450
O -6.180249 0.966124 -0.147376
O -5.641925 1.092849 1.944816
N 4.231387 -0.566482 1.012661
N -5.392000 0.853742 0.775772
C 2.974845 -0.277288 0.259094
C 3.191892 0.044783 -1.231085
C 4.064164 1.288055 -1.434130
C 5.540591 1.040937 -1.095163
C 5.906296 1.291519 0.372641
C 4.964706 0.662615 1.419461
C 2.073796 -1.518251 0.440034
C -0.085790 -0.940735 -0.525856
C -1.454833 -0.474510 -0.155532
C -2.398279 -0.328050 -1.184541
C -1.792190 -0.190473 1.175256
C -3.689741 0.106610 -0.883578
C -3.082198 0.244956 1.484673
C -4.016804 0.389010 0.450150
H 2.455865 0.591203 0.748928
H 2.206750 0.190133 -1.723006
H 3.638778 -0.821991 -1.755040
H 3.672292 2.132976 -0.836158
H 3.983333 1.610477 -2.491718
H 5.822049 0.008107 -1.379915
H 6.172397 1.696776 -1.728428
H 6.937688 0.922818 0.542144
H 5.951586 2.383390 0.556262
H 5.559787 0.378337 2.319252
H 4.233230 1.423828 1.768606
H 4.847275 -1.168801 0.455292
H 2.241719 -2.021585 1.413417
H 2.134987 -2.239872 -0.389723
H -2.114429 -0.556396 -2.218059
H -1.042496 -0.312658 1.965055
H -4.442481 0.227808 -1.671177
H -3.367906 0.472489 2.518169


%chk=000226141-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226141

0 1
O 0.700526 -0.864861 0.806012
O 0.280593 -1.799230 -1.298074
O -6.320504 0.617942 -0.711073
O -5.797828 1.524886 1.315552
N 4.452548 -0.794533 0.743887
N -5.494725 0.862455 0.250045
C 3.105644 -0.190875 0.623572
C 2.845855 0.645308 -0.657175
C 3.876110 1.780519 -0.881030
C 5.303320 1.278371 -1.230159
C 6.223429 0.937182 -0.026758
C 5.556689 0.111800 1.123325
C 2.110074 -1.360332 0.786983
C -0.105557 -1.156055 -0.291397
C -1.492231 -0.615949 -0.115818
C -2.433743 -0.858493 -1.149642
C -1.872706 0.115266 1.039415
C -3.750439 -0.377048 -1.037426
C -3.186717 0.603594 1.164322
C -4.104417 0.348500 0.121640
H 2.987164 0.479133 1.499748
H 1.828143 1.080946 -0.593948
H 2.847930 -0.027962 -1.539836
H 3.913971 2.441211 0.010296
H 3.510178 2.411845 -1.714539
H 5.204212 0.390207 -1.887489
H 5.822719 2.044227 -1.839642
H 7.103337 0.385402 -0.414911
H 6.618940 1.876359 0.410941
H 6.341868 -0.479138 1.634729
H 5.145621 0.801861 1.884351
H 4.684768 -1.409767 -0.046669
H 2.262334 -1.846251 1.762724
H 2.212583 -2.095125 -0.032883
H -2.112283 -1.425946 -2.028314
H -1.135435 0.289925 1.826578
H -4.498240 -0.548836 -1.815582
H -3.512433 1.169764 2.040447


