%chk=000252279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252279

0 1
S 2.831628 -1.303934 -1.231261
S -2.831697 -1.300951 1.234819
O 5.876099 2.363806 0.096074
O -5.876859 2.362387 -0.103117
N 5.604722 0.146954 -0.550449
N -5.605055 0.147442 0.549734
N 0.595686 -0.188742 -0.257121
N -0.595946 -0.188119 0.257549
N 6.572807 0.739614 1.565745
N -6.573183 0.733868 -1.568176
C 4.720659 0.549327 -1.673607
C -4.721114 0.553192 1.671772
C 3.235856 0.465786 -1.340978
C -3.236283 0.468995 1.339433
C 1.235502 -1.364771 -0.530513
C -1.235550 -1.363484 0.534274
C 0.639051 -2.616284 -0.271893
C -0.638863 -2.615618 0.279229
C 5.997205 1.175726 0.349266
C -5.997714 1.173565 -0.352924
H 4.987626 -0.086793 -2.550742
H 4.968881 1.605469 -1.966088
H -4.987987 -0.080476 2.550707
H -4.969554 1.610114 1.961231
H 2.988444 0.992143 -0.393593
H 2.613079 0.953509 -2.117514
H -2.613629 0.959077 2.114580
H -2.988943 0.992672 0.390544
H 5.399266 -0.777109 -0.164422
H -5.399400 -0.777677 0.166351
H 1.159305 -3.548370 -0.495623
H -1.158936 -3.547160 0.505629
H 7.054276 1.452866 2.102850
H 6.991803 -0.173797 1.637664
H -7.054765 1.445492 -2.107335
H -6.992017 -0.179820 -1.637493


%chk=000252279-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252279

0 1
S 2.609359 -1.695641 -1.830126
S -2.607129 -1.689884 1.833105
O 5.209336 2.683550 -0.128181
O -5.212117 2.683126 0.122339
N 4.652039 0.423512 -0.401203
N -4.653605 0.424056 0.400832
N 0.565703 -0.517703 -0.398530
N -0.564095 -0.516448 0.396952
N 5.287854 1.250601 1.710258
N -5.293677 1.244863 -1.711806
C 4.327364 0.569747 -1.819153
C -4.326210 0.574590 1.817717
C 2.879160 0.171975 -2.146608
C -2.877121 0.178715 2.143500
C 1.114758 -1.702519 -0.779457
C -1.112584 -1.700073 0.782407
C 0.572226 -2.967448 -0.396970
C -0.569461 -2.966191 0.404725
C 5.055272 1.521851 0.361438
C -5.058686 1.520051 -0.364208
H 5.037285 -0.006076 -2.446718
H 4.467055 1.640631 -2.058831
H -5.034541 0.000161 2.448346
H -4.466110 1.646077 2.054557
H 2.143992 0.688305 -1.507710
H 2.649017 0.337959 -3.211416
H -2.644805 0.348619 3.207219
H -2.143580 0.693153 1.501222
H 4.518887 -0.496628 0.021305
H -4.520903 -0.497242 -0.019286
H 1.037846 -3.901614 -0.724268
H -1.034615 -3.899326 0.735609
H 5.577312 2.033578 2.289787
H 5.139391 0.340707 2.140415
H -5.584461 2.026085 -2.293037
H -5.145753 0.333779 -2.139623


