%chk=000182969.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182969

0 1
S 3.435600 -1.437338 0.238725
O 2.053663 -1.594508 -0.768349
O 4.236046 -0.316503 -0.650940
O 3.021632 -0.903180 1.489132
O 4.124718 -2.669803 0.097358
N -2.760627 -1.848294 0.017332
N -3.032408 0.425040 0.237348
N -0.666894 2.379958 0.098892
N 1.863830 1.205037 -0.408718
N -5.052645 -1.031317 0.460384
C -1.494523 -1.275741 -0.117881
C -1.679712 0.141193 0.032803
C -0.546230 1.011012 -0.049107
C 0.735661 0.416534 -0.298469
C -0.226005 -1.868549 -0.351348
C 0.854425 -1.026107 -0.439170
C -3.669987 -0.771330 0.229298
C -3.080353 -3.276639 -0.046349
C 0.438177 3.126497 0.001387
C 1.726766 2.519964 -0.263078
C 0.327085 4.601014 0.168911
H -0.116066 -2.944740 -0.467421
H -3.044558 -3.644763 -1.087783
H -2.369179 -3.865833 0.561227
H -4.098159 -3.459637 0.354098
H 2.623823 3.143865 -0.345001
H -5.447658 -0.349363 1.114187
H -5.590556 -0.993094 -0.407144
H 0.916701 4.953806 1.028596
H 0.674386 5.139015 -0.725088
H -0.718184 4.914672 0.348301
H 3.712034 0.505832 -0.879133


%chk=000182969-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182969

0 1
S 3.693579 -1.534915 0.363140
O 2.063795 -1.592838 -1.008641
O 4.117446 0.046298 -0.021171
O 3.006917 -1.686470 1.826400
O 4.734598 -2.648882 -0.154452
N -2.789960 -1.790436 -0.027957
N -3.022351 0.493781 0.190376
N -0.639393 2.393198 0.003461
N 1.860184 1.189791 -0.399648
N -5.001858 -0.862844 0.400749
C -1.500366 -1.244701 -0.180919
C -1.682057 0.173196 -0.045006
C -0.538660 1.025388 -0.143170
C 0.744708 0.375465 -0.389252
C -0.261789 -1.866088 -0.429923
C 0.889194 -1.058146 -0.583775
C -3.653410 -0.703880 0.198392
C -3.165785 -3.204882 -0.072749
C 0.489240 3.143048 -0.064024
C 1.768446 2.527259 -0.242779
C 0.365218 4.640998 0.069885
H -0.140718 -2.947448 -0.543973
H -4.026101 -3.357966 -0.749623
H -2.324426 -3.794412 -0.467207
H -3.414257 -3.590731 0.933304
H 2.702577 3.092969 -0.240577
H -5.551730 -0.021023 0.551185
H -5.447104 -1.772480 0.466775
H 1.061469 5.040451 0.829453
H 0.595232 5.146934 -0.886694
H -0.665696 4.895166 0.358038
H 2.883862 0.700898 -0.366618


