%chk=000220084.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220084

0 1
S -6.416430 -1.033579 0.709562
S 6.161075 0.413550 1.362780
O -0.138953 -1.882581 2.577726
N -0.498786 -1.085202 1.697776
N 0.251927 -0.305211 1.007688
C -1.942393 -1.018818 1.402765
C -4.674236 -0.973109 0.925952
C 1.671903 -0.223455 1.150448
C -2.461844 -0.132991 0.445358
C -2.788879 -1.884068 2.124823
C 4.427013 0.144234 1.211030
C -3.838473 -0.114388 0.209303
C -4.158931 -1.859760 1.884010
C 2.277902 0.702258 0.268278
C 2.454513 -0.958950 2.057081
C 3.656827 0.885024 0.306333
C 3.840449 -0.774627 2.080857
C -6.781862 0.169246 -0.526605
C 6.796290 0.304422 -0.278846
C -6.835732 -0.226302 -1.864684
C -7.091066 1.473763 -0.136084
C 6.231101 -0.528875 -1.245254
C 7.943840 1.056949 -0.546260
C -7.210683 0.710345 -2.833997
C -7.464744 2.403294 -1.112682
C 6.827217 -0.606436 -2.508510
C 8.535991 0.964798 -1.809810
C -7.523986 2.021363 -2.457733
C 7.978175 0.136956 -2.790616
H -1.798565 0.537233 -0.111828
H -2.358137 -2.566017 2.868534
H -4.242982 0.574316 -0.535157
H -4.818048 -2.528792 2.441596
H 1.660258 1.268085 -0.429825
H 1.985632 -1.675584 2.739971
H 4.129959 1.603204 -0.365912
H 4.448494 -1.352979 2.779726
H -6.593012 -1.249654 -2.155727
H -7.046520 1.768912 0.913592
H 5.339762 -1.117375 -1.026745
H 8.376447 1.709443 0.212497
H -7.259834 0.417222 -3.881988
H -7.711060 3.424500 -0.824353
H 6.394715 -1.251780 -3.271564
H 9.432389 1.542358 -2.030427
H -7.816590 2.748135 -3.215693
H 8.440968 0.071024 -3.773490


%chk=000220084-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220084

0 1
S -6.591551 -0.687807 0.975476
S 6.320742 -0.317325 1.327748
O -0.219779 -1.960682 2.919930
N -0.565768 -1.183175 1.902960
N 0.243035 -0.516515 1.090679
C -1.999242 -1.030930 1.632507
C -4.765309 -0.784142 1.176820
C 1.643663 -0.569341 1.246919
C -2.462637 -0.227985 0.565039
C -2.906947 -1.712591 2.474794
C 4.488360 -0.408923 1.218766
C -3.846858 -0.106133 0.339211
C -4.288986 -1.587653 2.244825
C 2.333255 0.216212 0.269232
C 2.418922 -1.278729 2.221995
C 3.732279 0.303937 0.253766
C 3.823904 -1.193716 2.193677
C -6.779670 0.373945 -0.523807
C 6.816800 0.152739 -0.387090
C -6.800502 -0.221876 -1.806169
C -6.972085 1.766488 -0.372617
C 6.488757 -0.672315 -1.489251
C 7.607570 1.310807 -0.566371
C -7.008346 0.587198 -2.947567
C -7.181801 2.569831 -1.518157
C 6.943331 -0.322709 -2.780320
C 8.074401 1.644173 -1.860118
C -7.199175 1.981824 -2.804649
C 7.740100 0.832471 -2.968204
H -1.738441 0.287951 -0.068544
H -2.515445 -2.325171 3.290272
H -4.206254 0.515513 -0.486288
H -4.995378 -2.114939 2.895022
H 1.731251 0.759713 -0.465882
H 1.915732 -1.886233 2.973151
H 4.234508 0.920548 -0.497846
H 4.407974 -1.752246 2.933555
H -6.658201 -1.302681 -1.906004
H -6.958424 2.211447 0.627383
H 5.886826 -1.574135 -1.337066
H 7.848237 1.944597 0.293260
H -7.025117 0.127697 -3.941732
H -7.332426 3.648663 -1.403080
H 6.686063 -0.958784 -3.634385
H 8.689680 2.539923 -1.998378
H -7.364133 2.605790 -3.689961
H 8.098186 1.095366 -3.969606


