%chk=000243647.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243647

0 1
S -0.260926 1.881590 2.151051
P -0.084252 1.017006 0.406919
N 0.042786 2.200240 -0.913787
N -1.428282 -0.017074 0.007082
N 1.327640 -0.006362 0.216993
C -0.837401 3.408970 -0.880377
C 0.657219 3.542125 -0.679825
C -1.368151 -0.567213 -1.384392
C -2.772998 0.425778 0.481715
C 1.235614 -1.213878 1.103063
C 2.630674 0.726987 0.275678
C -2.565105 -1.471074 -1.730905
C -3.420212 -0.739621 1.255040
C 2.527490 -2.050540 1.125564
C 3.512152 0.216766 -0.881285
C -2.973686 -2.433959 -0.608417
C -4.010164 -1.822280 0.345299
C 3.181101 -2.238578 -0.249561
C 4.186490 -1.126317 -0.581203
H -1.522677 3.618406 -0.050619
H -1.290706 3.667649 -1.843774
H 1.294896 3.897810 -1.496797
H 1.052822 3.845510 0.297846
H -0.428207 -1.169935 -1.460354
H -1.303591 0.231568 -2.161393
H -3.423285 0.736167 -0.364988
H -2.713365 1.305023 1.166289
H 0.405587 -1.846857 0.699375
H 0.974261 -0.965077 2.160801
H 3.148542 0.583480 1.250874
H 2.505471 1.826121 0.163755
H -2.300278 -2.051988 -2.637083
H -3.433343 -0.848545 -2.022758
H -4.211300 -0.336080 1.915807
H -2.662901 -1.189223 1.930737
H 2.281448 -3.041780 1.556552
H 3.254994 -1.597248 1.827575
H 4.283112 0.976381 -1.110322
H 2.888761 0.125206 -1.795563
H -2.077124 -2.741761 -0.034114
H -3.388573 -3.359217 -1.051691
H -4.857071 -1.408079 -0.234632
H -4.442796 -2.624796 0.975124
H 2.398523 -2.277428 -1.033597
H 3.697591 -3.216811 -0.280025
H 4.906614 -1.009656 0.251492
H 4.789906 -1.430904 -1.459067


%chk=000243647-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243647

0 1
S -0.759803 2.195461 2.348294
P -0.182719 1.298919 0.531954
N 0.324625 2.456367 -0.783781
N -1.466238 0.364907 -0.187055
N 1.204824 0.223275 0.543796
C -0.585269 3.660600 -0.960132
C 0.789524 3.841541 -0.355069
C -1.230054 -0.216560 -1.532900
C -2.823156 0.353022 0.402283
C 1.119559 -0.860448 1.557862
C 2.552622 0.689476 0.127981
C -2.094160 -1.462611 -1.837054
C -3.138202 -0.948927 1.178708
C 2.157896 -1.985605 1.334777
C 3.063355 -0.075024 -1.117134
C -2.180372 -2.507568 -0.696232
C -3.320959 -2.216801 0.312707
C 2.367190 -2.406806 -0.142625
C 3.438225 -1.555858 -0.873667
H -1.437499 3.764326 -0.274426
H -0.770332 3.928761 -2.004661
H 1.611152 4.242235 -0.957136
H 0.825037 4.043443 0.724533
H -0.158069 -0.488299 -1.580821
H -1.408769 0.543440 -2.324324
H -3.569164 0.523825 -0.400617
H -2.892923 1.203745 1.105740
H 0.099933 -1.286842 1.488577
H 1.230872 -0.451701 2.586922
H 3.263232 0.582802 0.973787
H 2.504583 1.762689 -0.116882
H -1.663389 -1.925132 -2.747735
H -3.121925 -1.150969 -2.111031
H -4.062863 -0.783707 1.769626
H -2.320855 -1.099187 1.911221
H 1.816796 -2.852477 1.934545
H 3.136703 -1.688401 1.760928
H 3.952468 0.456610 -1.516275
H 2.273848 -0.001487 -1.889772
H -1.207411 -2.565861 -0.167175
H -2.358765 -3.507413 -1.139615
H -4.269541 -2.132916 -0.258999
H -3.442503 -3.088952 0.986637
H 1.402696 -2.353929 -0.686307
H 2.691949 -3.465847 -0.170174
H 4.375351 -1.601831 -0.279307
H 3.669802 -2.023779 -1.851870


