%chk=000268794.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268794

0 1
S 0.087693 2.628403 0.481469
O 0.031402 3.552646 -0.644829
O 0.226244 3.146971 1.837136
O 4.972067 -2.046985 1.479552
O -5.180886 -1.056767 -1.831844
N 4.547599 -1.158986 -0.612583
N -4.802639 -0.764681 0.430372
N 7.038781 -2.166113 -1.411163
N -6.563808 -2.909838 0.859323
C 1.387569 1.520960 0.186449
C -1.331936 1.635327 0.442545
C 1.939786 0.782263 1.237394
C -1.942906 1.322222 -0.775603
C 1.910186 1.388765 -1.104740
C -1.889229 1.170005 1.638631
C 3.492063 -0.256731 -0.295845
C -3.630351 0.042901 0.388775
C 2.983200 -0.112344 1.008149
C -3.083508 0.522920 -0.815775
C 2.954164 0.504421 -1.360375
C -3.029234 0.371491 1.626698
C 5.235964 -1.984970 0.295379
C -5.505077 -1.268094 -0.680418
C 6.326791 -2.873828 -0.315734
C -6.768866 -2.073180 -0.351334
H 1.560077 0.911039 2.257496
H -1.531797 1.715009 -1.712641
H 1.502053 1.995040 -1.923389
H -1.430797 1.444150 2.597281
H 3.407756 -0.689957 1.836941
H -3.551737 0.276155 -1.775176
H 3.350407 0.411749 -2.368419
H -3.450198 0.014989 2.563410
H 4.883842 -1.147296 -1.588399
H -5.124130 -1.060041 1.365474
H 6.985099 -3.215899 0.517543
H 5.834366 -3.792310 -0.715848
H -7.599569 -1.348268 -0.175707
H -7.049075 -2.646040 -1.266632
H 7.716772 -1.510524 -1.028469
H 7.551751 -2.829989 -1.985227
H -7.458952 -3.205871 1.239509
H -6.041838 -3.751317 0.624924


%chk=000268794-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268794

0 1
S 0.073846 2.521797 0.586454
O 0.046968 3.568498 -0.675443
O 0.159249 2.998969 2.152936
O 5.434135 -2.030664 1.683375
O -5.581106 -0.882704 -2.081363
N 4.872598 -1.087835 -0.418592
N -4.971112 -0.866317 0.209980
N 6.869562 -2.225316 -1.726289
N -6.958881 -2.425142 0.993328
C 1.539662 1.366144 0.289423
C -1.474449 1.447596 0.440297
C 2.111349 0.706264 1.388508
C -2.082967 1.305125 -0.816673
C 2.048197 1.264773 -1.015845
C -1.998042 0.881718 1.614404
C 3.755027 -0.271501 -0.140463
C -3.799524 -0.079812 0.247372
C 3.227470 -0.127934 1.175031
C -3.255054 0.528669 -0.920017
C 3.163847 0.433645 -1.227674
C -3.169083 0.108491 1.510587
C 5.617231 -1.876857 0.439065
C -5.761440 -1.211610 -0.871072
C 6.761600 -2.614432 -0.301087
C -6.971010 -2.083223 -0.447930
H 1.708357 0.863365 2.394572
H -1.663939 1.812901 -1.691778
H 1.597966 1.843227 -1.829128
H -1.515082 1.068346 2.579102
H 3.702772 -0.662393 2.000290
H -3.760231 0.388339 -1.878001
H 3.585270 0.333834 -2.234802
H -3.603453 -0.345484 2.408971
H 5.254551 -1.153928 -1.385130
H -5.358298 -1.284263 1.081757
H 7.689377 -2.419012 0.268877
H 6.558977 -3.696509 -0.200814
H -7.880258 -1.513946 -0.715125
H -6.964335 -2.978159 -1.097932
H 7.659655 -1.611753 -1.943148
H 6.795868 -2.998292 -2.392014
H -7.775768 -2.106293 1.519835
H -6.730399 -3.400925 1.200460


