%chk=000254209.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254209

0 1
S 1.151474 -0.914820 0.971775
S -5.518021 -0.201679 1.761173
N 5.113258 -1.668467 0.773301
C 3.633114 -1.918171 0.742296
C 0.407100 0.764640 0.941225
C 2.941934 -0.569609 0.950375
C 5.853054 -2.581952 -0.158790
C 5.646330 -1.762069 2.174016
C -1.067489 0.513980 1.100946
C 0.834924 1.466322 -0.314629
C -2.002133 0.922379 0.138071
C -1.515634 -0.127947 2.271325
C 5.605791 -2.162855 -1.608649
C 6.983392 -1.025732 2.271891
C 1.351127 2.769064 -0.229656
C 0.741510 0.841467 -1.569086
C -3.790971 0.034718 1.491058
C -3.366570 0.681368 0.330737
C -2.876620 -0.371087 2.465650
C -5.604188 -2.079944 -0.288622
C -5.792129 -1.920776 1.211789
C -6.685674 -1.359419 -1.106065
C 1.771118 3.435738 -1.384369
C 1.163155 1.511926 -2.719216
C 1.679326 2.809282 -2.630344
C -6.505228 -1.592213 -2.604370
H 3.343385 -2.339057 -0.248298
H 3.304386 -2.660650 1.502192
H 0.774579 1.326909 1.839831
H 3.253103 -0.088476 1.894236
H 3.199686 0.133068 0.133095
H 5.586498 -3.651332 -0.016505
H 6.940797 -2.492901 0.064278
H 5.760155 -2.811331 2.522491
H 4.915583 -1.278718 2.860686
H -1.674860 1.435792 -0.766707
H -0.801593 -0.444365 3.032848
H 6.252728 -2.717681 -2.294916
H 5.807077 -1.091039 -1.743948
H 4.566343 -2.330016 -1.914076
H 7.307995 -0.935634 3.313121
H 6.902660 -0.013288 1.852387
H 7.775934 -1.537088 1.713949
H 1.424083 3.268580 0.734871
H 0.342283 -0.171539 -1.646136
H -4.087518 1.001800 -0.423201
H -3.217120 -0.868894 3.374325
H -4.600223 -1.718390 -0.593670
H -5.610324 -3.161450 -0.540867
H -5.117953 -2.597103 1.768947
H -6.826821 -2.166980 1.523460
H -6.659661 -0.271843 -0.889879
H -7.690089 -1.703079 -0.791328
H 2.170876 4.445850 -1.310616
H 1.091009 1.021235 -3.688650
H 2.008412 3.328218 -3.528312
H -5.531458 -1.231425 -2.954664
H -6.573028 -2.655138 -2.861371
H -7.275071 -1.066183 -3.180306


%chk=000254209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254209

0 1
S 1.062277 -1.069034 0.385744
S -5.719405 0.452298 1.297694
N 5.120031 -1.961255 0.659353
C 3.675613 -2.106057 0.345312
C 0.460461 0.743439 0.651777
C 2.926072 -0.794311 0.642099
C 6.009036 -2.690159 -0.284023
C 5.425205 -2.233259 2.090270
C -1.059782 0.681958 0.780896
C 0.980330 1.713734 -0.405156
C -1.925575 0.991167 -0.296467
C -1.631807 0.290789 2.021134
C 6.123991 -1.995109 -1.654127
C 6.683421 -1.497213 2.589325
C 1.242445 3.055902 -0.025663
C 1.175165 1.339835 -1.758312
C -3.885750 0.508318 1.094284
C -3.328344 0.898142 -0.144577
C -3.029440 0.212703 2.183241
C -5.787980 -2.222458 0.194953
C -5.963184 -1.433569 1.502318
C -6.868371 -1.927476 -0.868773
C 1.681979 4.004483 -0.975902
C 1.615206 2.286177 -2.710867
C 1.869072 3.622736 -2.324628
C -6.632577 -2.704444 -2.181895
H 3.559487 -2.344143 -0.727117
H 3.208868 -2.948850 0.911575
H 0.881127 1.025459 1.635220
H 3.083729 -0.469512 1.685633
H 3.263677 0.001713 -0.041045
H 5.676786 -3.750529 -0.422737
H 7.014969 -2.735616 0.171365
H 5.526831 -3.331825 2.282242
H 4.559132 -1.893019 2.688506
H -1.507038 1.311220 -1.255898
H -0.973618 0.048572 2.864234
H 6.808230 -2.557057 -2.317219
H 6.513111 -0.970020 -1.527106
H 5.146021 -1.925619 -2.164399
H 6.851556 -1.703338 3.663052
H 6.565714 -0.408562 2.449751
H 7.590794 -1.812872 2.043279
H 1.095978 3.360570 1.018313
H 1.000934 0.296735 -2.047295
H -3.991896 1.129374 -0.984163
H -3.458764 -0.060141 3.153586
H -4.782891 -2.015863 -0.223980
H -5.805709 -3.305514 0.443778
H -5.249906 -1.761600 2.277610
H -6.988916 -1.525632 1.903515
H -6.881937 -0.838721 -1.071303
H -7.865911 -2.184369 -0.456467
H 1.881854 5.035900 -0.664098
H 1.764407 1.979439 -3.752498
H 2.214629 4.355338 -3.062609
H -5.656599 -2.436253 -2.628730
H -6.631011 -3.797093 -2.006012
H -7.417921 -2.483515 -2.927890


