%chk=000246212.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246212

0 1
S 1.095015 0.426683 1.717745
S 0.176734 1.478336 -1.471803
P -0.243341 0.479870 0.100356
O -0.569079 -1.058543 -0.316988
O -1.482155 0.967417 1.060596
O 2.571682 -1.678089 1.092756
N 3.488054 0.329655 0.426879
C -1.079219 -2.012356 0.694252
C -2.621365 1.682320 0.449094
C -2.536009 -2.242163 0.316863
C -0.189547 -3.226832 0.502059
C -3.811921 1.069001 1.173191
C -2.411015 3.157083 0.747509
C 2.530944 -0.480649 0.964385
C 4.650273 -0.304992 -0.246744
C 3.364352 1.793536 0.261326
H -0.986814 -1.594732 1.722154
H -2.672975 1.484978 -0.646019
H -2.941138 -3.136489 0.801755
H -3.170394 -1.384831 0.599563
H -2.639528 -2.378016 -0.769443
H -0.528747 -4.081822 1.093657
H 0.852637 -3.005101 0.796418
H -0.151730 -3.531140 -0.552590
H -4.758752 1.499940 0.832895
H -3.848003 -0.023538 1.009662
H -3.739451 1.221130 2.258789
H -3.338577 3.729499 0.638113
H -1.664156 3.608323 0.079279
H -2.049138 3.303457 1.775346
H 4.640712 -0.092822 -1.329676
H 4.629500 -1.404429 -0.114895
H 5.591622 0.070716 0.187584
H 2.905091 2.270755 1.145527
H 2.756981 2.051776 -0.629611
H 4.362757 2.244670 0.133715


%chk=000246212-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246212

0 1
S 0.895684 0.419512 1.751658
S 0.060556 1.244644 -1.838077
P -0.463672 0.217300 -0.125142
O -0.619816 -1.466926 -0.397787
O -1.968130 0.637668 0.642161
O 2.644342 -1.605339 1.011842
N 3.356367 0.529102 0.371625
C -0.915516 -2.449297 0.723289
C -2.625506 1.962657 0.350122
C -2.429935 -2.682911 0.772725
C -0.088060 -3.689333 0.379302
C -4.098929 1.736813 0.699816
C -1.953473 3.069516 1.172952
C 2.484840 -0.363300 0.946740
C 4.571775 -0.009641 -0.281891
C 3.184021 1.989379 0.263899
H -0.551406 -1.995654 1.666318
H -2.504663 2.161840 -0.733452
H -2.664175 -3.420970 1.562709
H -2.964902 -1.744524 0.994315
H -2.789036 -3.081390 -0.192366
H -0.271383 -4.476712 1.134238
H 0.985457 -3.441283 0.378352
H -0.375121 -4.081695 -0.612017
H -4.676242 2.656627 0.492970
H -4.521005 0.913508 0.099517
H -4.209302 1.487709 1.769659
H -2.476833 4.029382 1.007642
H -0.897435 3.200586 0.877908
H -1.993513 2.828779 2.249716
H 4.566636 0.254497 -1.355466
H 4.585308 -1.103358 -0.174153
H 5.475359 0.419450 0.189317
H 2.337628 2.321105 0.880337
H 2.986818 2.274034 -0.785937
H 4.106561 2.490830 0.610859


