%chk=000268304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268304

0 1
S -6.269548 -0.213000 0.086837
O 4.327704 3.151150 0.658770
O -6.597627 -1.613815 -0.090827
O -6.824390 0.553064 1.184795
N 4.674105 0.955035 0.132736
N -0.384169 0.493067 -0.104402
N -6.803158 0.574806 -1.345490
C 4.188862 -0.348646 -0.066421
C 2.803691 -0.614709 0.125522
C 1.931304 0.474244 0.517536
C 3.822880 2.053260 0.511738
C 2.411067 1.726485 0.695194
C 5.056304 -1.411095 -0.453764
C 2.321852 -1.930292 -0.090268
C 6.115984 1.250363 -0.065139
C 0.490795 0.181347 0.783996
C 4.551091 -2.681029 -0.647036
C 3.174836 -2.948629 -0.467023
C -4.558009 -0.022333 0.063986
C -1.785103 0.279381 0.034035
C -3.971501 1.103961 0.653046
C -3.755328 -0.998145 -0.539219
C -2.586713 1.262690 0.646882
C -2.368938 -0.858866 -0.557255
H 1.778379 2.573743 0.969484
H 6.118158 -1.224653 -0.601145
H 1.257818 -2.133965 0.039347
H 6.424342 1.044860 -1.103117
H 6.738995 0.667763 0.632436
H 6.307257 2.327887 0.133510
H 0.310188 -0.290769 1.766907
H 5.215719 -3.494363 -0.944653
H 2.799511 -3.956733 -0.630936
H -4.600787 1.861924 1.135881
H -4.216445 -1.885530 -0.990616
H -2.130084 2.143924 1.094553
H -1.744024 -1.609055 -1.038483
H -7.199410 0.005093 -2.089406
H -7.351009 1.426879 -1.250790


%chk=000268304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268304

0 1
S -6.433718 -0.310095 -0.179296
O 4.017935 2.993623 -1.227156
O -7.006672 -0.518696 -1.689732
O -6.685568 -1.365694 1.036353
N 4.643074 0.913389 -0.312277
N -0.447762 0.637826 -0.640460
N -7.084600 1.310398 0.405715
C 4.305473 -0.357803 0.185239
C 2.924180 -0.768209 0.250984
C 1.902254 0.174437 -0.206817
C 3.667532 1.855365 -0.778427
C 2.281755 1.414008 -0.693127
C 5.324255 -1.252180 0.625247
C 2.628881 -2.069834 0.751531
C 6.056425 1.339004 -0.380569
C 0.461504 -0.164658 -0.147450
C 4.994232 -2.525016 1.116389
C 3.640436 -2.942121 1.180153
C -4.582361 -0.020770 -0.304771
C -1.830622 0.376028 -0.497778
C -3.791944 -0.309201 0.818904
C -4.064061 0.462611 -1.519000
C -2.400909 -0.111599 0.715972
C -2.675916 0.676187 -1.603583
H 1.523615 2.121946 -1.036955
H 6.373667 -0.953057 0.582109
H 1.590974 -2.411230 0.801519
H 6.637742 0.668518 -1.038019
H 6.511326 1.353149 0.625676
H 6.063780 2.356329 -0.799677
H 0.178662 -1.128758 0.315931
H 5.792064 -3.197588 1.449047
H 3.386090 -3.936799 1.558841
H -4.251664 -0.693006 1.735216
H -4.725743 0.651426 -2.369927
H -1.759017 -0.297413 1.583908
H -2.221308 1.067143 -2.518280
H -7.720068 1.681024 -0.320282
H -7.549324 1.156613 1.316049


