%chk=000294488.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294488

0 1
S 6.590282 -0.033896 0.085780
O 2.602398 -2.255085 -0.119095
O -0.439746 3.832384 -0.117867
O -5.951154 -1.756366 -0.227572
O 0.897544 2.408192 1.080991
O -4.767462 -0.072378 -1.235858
N 1.643965 -0.193952 0.261336
N -2.080015 -0.130941 -0.176949
N -0.614382 1.632097 -0.556429
N -3.738370 -1.845260 -0.021158
N 4.226225 0.993593 -0.022337
C 0.285844 -0.619558 0.213099
C -0.771975 0.265722 -0.133649
C -0.072080 -1.959381 0.501031
C -2.382102 -1.432213 0.070664
C -1.391304 -2.380178 0.432024
C 2.726373 -1.049943 0.045089
C 4.079701 -0.409844 0.054948
C 0.027891 2.588767 0.253268
C 5.249334 -1.123155 0.117005
C -4.783790 -1.073291 -0.571199
C 5.485011 1.351861 -0.015945
C 0.270674 4.964105 0.462033
C -7.175826 -1.191515 -0.769038
H 0.717698 -2.681226 0.760158
H -1.648285 -3.416951 0.636556
H 1.814450 0.817189 0.442934
H -1.412514 1.982598 -1.126257
H -3.989703 -2.732969 0.427721
H 5.357541 -2.198893 0.170315
H 5.852610 2.370038 -0.065658
H 1.271643 5.020501 0.023335
H -0.360914 5.807441 0.159416
H 0.322708 4.858315 1.551189
H -7.271558 -0.144682 -0.461164
H -7.944055 -1.825598 -0.312420
H -7.165756 -1.278928 -1.860097


%chk=000294488-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294488

0 1
S 6.626703 0.112264 0.204795
O 2.693227 -2.346280 0.032461
O -0.336650 3.890256 -0.164127
O -6.003376 -1.968543 -0.409584
O 1.292101 2.430339 0.676711
O -4.992159 0.144217 -0.672265
N 1.624351 -0.234898 0.232302
N -2.114861 -0.142083 -0.124947
N -0.765639 1.678040 -0.228326
N -3.778888 -1.847915 -0.130373
N 4.128562 1.035277 0.279663
C 0.267287 -0.642381 0.195011
C -0.820727 0.266809 -0.023775
C -0.103020 -2.014806 0.350109
C -2.431361 -1.446606 -0.002578
C -1.438280 -2.427930 0.256911
C 2.729414 -1.076735 0.144008
C 4.044150 -0.366338 0.185907
C 0.164115 2.624354 0.144505
C 5.262073 -1.033013 0.136284
C -4.900813 -1.074742 -0.427737
C 5.374136 1.453061 0.302679
C 0.559552 5.017996 0.173354
C -7.304288 -1.341422 -0.713645
H 0.694326 -2.742998 0.503962
H -1.697564 -3.485719 0.367511
H 1.811588 0.783967 0.383222
H -1.672609 2.037167 -0.550698
H -3.977630 -2.840540 0.009900
H 5.414096 -2.107012 0.063385
H 5.694275 2.491744 0.373084
H 1.512245 4.926252 -0.374326
H 0.005496 5.913124 -0.141050
H 0.761805 5.035756 1.257170
H -7.533172 -0.550944 0.021144
H -8.033356 -2.161572 -0.648981
H -7.294209 -0.901545 -1.725466


