%chk=000222419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222419

0 1
S -2.633375 -1.123213 -1.728329
S 3.175964 -1.308464 -1.931457
S 0.228291 -1.568699 -2.673176
N -5.400892 0.573951 0.681004
N 4.473233 1.230566 0.977167
N -0.333473 -0.598654 -0.349630
N 1.016382 -0.640351 -0.399524
C -3.395160 -0.600404 -0.122777
C 4.070872 -0.730769 -0.419530
C -4.779692 -0.069834 -0.526976
C 4.073067 0.804006 -0.407133
C -3.440496 -1.790982 0.806017
C 5.450936 -1.340189 -0.548700
C -6.885585 0.633976 0.531388
C -4.847624 1.943505 0.900200
C 3.275643 1.326162 1.864821
C 5.199204 2.534624 0.943086
C -0.935649 -1.041947 -1.445961
C 1.508772 -1.116799 -1.537093
H -2.772137 0.216478 0.321724
H 3.544113 -1.127720 0.484677
H -5.428471 -0.912993 -0.855257
H -4.704450 0.626942 -1.391588
H 3.078732 1.205680 -0.705370
H 4.798629 1.193433 -1.152876
H -4.013580 -1.535187 1.714623
H -3.926584 -2.668459 0.363705
H -2.435711 -2.093704 1.132910
H 5.434211 -2.436478 -0.497693
H 5.971341 -1.053337 -1.470907
H 6.080713 -0.987652 0.288406
H -7.281376 -0.391964 0.458788
H -7.244404 1.209850 -0.333758
H -7.317026 1.078464 1.443418
H -5.256420 2.343900 1.842113
H -5.057248 2.664824 0.097252
H -3.753947 1.877295 1.028450
H 2.680279 0.398337 1.792360
H 2.600116 2.165186 1.642523
H 3.618336 1.417551 2.907011
H 5.497495 2.801790 1.970089
H 4.626463 3.374757 0.524232
H 6.125508 2.415521 0.359171


%chk=000222419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222419

0 1
S -2.681536 -1.120736 -1.972422
S 3.277649 -1.477343 -2.016720
S 0.268101 -1.642985 -2.908995
N -5.375434 0.560430 0.707835
N 4.336321 1.323150 0.897354
N -0.363136 -0.688946 -0.480314
N 1.049328 -0.768752 -0.494684
C -3.368991 -0.587709 -0.242061
C 4.051490 -0.763551 -0.394698
C -4.765224 0.015577 -0.526061
C 4.039343 0.783700 -0.449151
C -3.382214 -1.774967 0.724702
C 5.457973 -1.358902 -0.261057
C -6.848019 0.645440 0.624412
C -4.769563 1.836238 1.143447
C 3.131774 1.460231 1.744842
C 5.168529 2.540740 0.897884
C -0.924739 -1.091704 -1.617717
C 1.540929 -1.227489 -1.644683
H -2.654203 0.181108 0.095145
H 3.381789 -1.118344 0.405309
H -5.428213 -0.784383 -0.909117
H -4.678009 0.789437 -1.330658
H 3.058957 1.141224 -0.837022
H 4.819775 1.119576 -1.157629
H -3.849260 -1.448095 1.671631
H -3.975396 -2.614800 0.320501
H -2.357452 -2.125471 0.931438
H 5.428528 -2.450692 -0.104731
H 6.078732 -1.147321 -1.151940
H 5.937586 -0.886714 0.615152
H -7.267663 -0.349009 0.391331
H -7.210373 1.367016 -0.150900
H -7.254193 0.965534 1.600699
H -5.225873 2.151590 2.098335
H -4.909783 2.662435 0.400862
H -3.686806 1.712848 1.316558
H 2.515335 0.547960 1.682272
H 2.485408 2.319513 1.436634
H 3.430471 1.612595 2.797953
H 5.449118 2.794055 1.936793
H 4.655615 3.433169 0.458039
H 6.098331 2.363347 0.328833


