%chk=000272851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272851

0 1
S 0.125231 -0.339015 1.270506
O 0.949550 -3.303744 -1.855954
O -1.881201 1.370451 -1.926149
O -1.587089 -1.947780 -0.682087
O 0.249049 1.976865 -2.378578
N 1.689586 -2.172075 0.142789
N -0.276947 -0.224742 -1.598536
C 1.527540 -0.683134 0.133632
C 1.071793 -0.764357 -1.383606
C 1.124579 -2.339894 -1.186689
C 1.136667 -2.847674 1.336977
C 2.678291 0.182167 0.498043
C 2.066047 -0.297911 -2.416851
C -0.082378 -2.068292 1.841226
C -1.481946 -0.828478 -1.102991
C -0.512615 1.131664 -2.005785
C 2.602610 1.560574 0.230580
C 3.822943 -0.348175 1.109929
C -2.584307 0.221693 -1.336236
C 3.663257 2.396627 0.583486
C 4.881144 0.496286 1.459586
C -3.282195 0.647018 -0.075457
C 4.802873 1.867205 1.199746
C -3.877456 -0.331643 0.735395
C -3.364395 2.000887 0.271365
C -4.556965 0.052570 1.892888
C -4.045585 2.376444 1.433225
C -4.642359 1.405395 2.242609
H 1.938604 -2.884679 2.110598
H 0.876383 -3.900263 1.081646
H 3.073245 -0.693656 -2.214539
H 1.780933 -0.622546 -3.428514
H 2.163279 0.801897 -2.447627
H -1.030473 -2.466515 1.423315
H -0.163431 -2.073471 2.941135
H 1.720694 1.982384 -0.255538
H 3.892711 -1.418268 1.307149
H -3.303436 -0.102245 -2.126948
H 3.601836 3.464605 0.377255
H 5.768493 0.081696 1.935572
H 5.627193 2.523021 1.474817
H -3.800586 -1.387322 0.468681
H -2.896251 2.755438 -0.365409
H -5.021009 -0.703359 2.525070
H -4.109010 3.429351 1.706023
H -5.173193 1.700800 3.146654


%chk=000272851-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272851

0 1
S 0.408446 0.057629 1.700330
O 0.786224 -3.211864 -1.521216
O -1.908399 1.530276 -1.767702
O -1.621582 -1.805798 -0.443459
O 0.315736 2.189931 -1.965729
N 1.649074 -1.973410 0.386133
N -0.293654 -0.054395 -1.368374
C 1.645520 -0.490511 0.305786
C 1.052125 -0.626062 -1.195583
C 1.044916 -2.182641 -0.881901
C 1.305345 -2.581256 1.679070
C 2.967071 0.223855 0.472712
C 1.991240 -0.282414 -2.359295
C 0.111155 -1.750137 2.234604
C -1.494045 -0.679585 -0.967002
C -0.519128 1.306256 -1.731814
C 3.035027 1.630694 0.301396
C 4.147777 -0.496669 0.775599
C -2.627742 0.305836 -1.326505
C 4.264790 2.305145 0.450155
C 5.378681 0.181296 0.925051
C -3.593631 0.595556 -0.188212
C 5.441040 1.584080 0.766564
C -4.491966 -0.423301 0.215314
C -3.601655 1.847281 0.469840
C -5.390251 -0.189745 1.279116
C -4.507097 2.077035 1.530446
C -5.401139 1.061522 1.938991
H 2.170144 -2.533984 2.362711
H 1.022761 -3.635388 1.519881
H 2.971524 -0.756547 -2.188088
H 1.569976 -0.688355 -3.295912
H 2.140863 0.801763 -2.467136
H -0.842188 -2.081844 1.798028
H 0.074051 -1.762802 3.334974
H 2.131388 2.196225 0.044488
H 4.101161 -1.586429 0.877033
H -3.167165 -0.091743 -2.207302
H 4.306981 3.391482 0.315004
H 6.286530 -0.385170 1.161102
H 6.395032 2.110278 0.882492
H -4.480347 -1.396586 -0.288042
H -2.915801 2.634420 0.143646
H -6.081632 -0.980943 1.588886
H -4.513467 3.049371 2.035082
H -6.101984 1.243445 2.761240


