%chk=000207863.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207863

0 1
S -2.922529 1.126323 -0.128132
S 3.014251 -0.697428 -2.116523
P 2.709966 -0.061667 -0.351340
O 1.688195 -1.023347 0.567445
O 3.960217 0.010902 0.690473
O 2.046030 1.407340 -0.127030
O -2.149687 2.336864 -0.341368
O -4.068293 0.819009 -0.957218
N -3.478398 1.168411 1.501481
C -1.817577 -0.225759 -0.209031
C -0.497898 -0.041677 0.201152
C 0.384652 -1.124699 0.087205
C -2.246543 -1.454403 -0.712110
C -0.021509 -2.374120 -0.407815
C -1.350455 -2.528993 -0.804121
C -2.472909 1.561549 2.514542
C -4.339575 0.034647 1.907923
C 4.830297 -1.174109 0.748012
C 1.910446 2.306172 -1.289153
C 5.918979 -0.732653 1.705570
C 0.921418 3.337543 -0.794632
H -0.139967 0.926261 0.578436
H -3.279921 -1.578635 -1.054649
H 0.698087 -3.190155 -0.482688
H -1.689708 -3.486725 -1.200288
H -1.937617 2.468270 2.169865
H -1.736725 0.776777 2.752263
H -2.985732 1.839989 3.453031
H -3.799341 -0.913309 2.059360
H -5.131412 -0.115443 1.147424
H -4.857331 0.284431 2.851690
H 5.227300 -1.399814 -0.261191
H 4.241856 -2.023445 1.144437
H 1.537425 1.754724 -2.172764
H 2.911284 2.734963 -1.484803
H 6.635175 -1.539125 1.899498
H 6.472817 0.130485 1.309689
H 5.493190 -0.412403 2.668005
H 0.911139 4.226224 -1.436628
H -0.117012 2.952606 -0.763421
H 1.160016 3.663020 0.227705


%chk=000207863-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207863

0 1
S -3.078079 1.016288 -0.261128
S 3.113630 -0.526722 -2.401099
P 2.760438 -0.052533 -0.428398
O 1.692462 -1.135116 0.474151
O 4.079660 -0.058992 0.668146
O 2.035255 1.458928 -0.055216
O -2.163828 2.333264 -0.546352
O -4.344145 0.588554 -1.184541
N -3.794022 1.286627 1.473510
C -1.891410 -0.472963 -0.213592
C -0.554467 -0.208939 0.111577
C 0.336165 -1.307629 0.111358
C -2.392838 -1.747544 -0.526487
C -0.116239 -2.612702 -0.189065
C -1.477839 -2.827250 -0.501175
C -2.728162 1.665947 2.430098
C -4.638109 0.138618 1.877344
C 5.036826 -1.212051 0.638065
C 2.169338 2.617438 -1.005589
C 6.242447 -0.779252 1.465247
C 1.085834 3.617868 -0.615782
H -0.193205 0.802061 0.321199
H -3.440167 -1.880674 -0.814114
H 0.602429 -3.437290 -0.186062
H -1.824100 -3.836359 -0.746497
H -2.092058 2.438800 1.968140
H -2.100641 0.812658 2.772447
H -3.224275 2.114358 3.309817
H -4.061065 -0.752958 2.211532
H -5.298909 -0.131756 1.037128
H -5.274517 0.479974 2.713821
H 5.306527 -1.426290 -0.414141
H 4.527743 -2.090552 1.075076
H 2.044464 2.246292 -2.040104
H 3.186637 3.031333 -0.883467
H 6.980408 -1.601740 1.503703
H 6.726071 0.106027 1.019556
H 5.939714 -0.533057 2.496805
H 1.166182 4.507676 -1.268084
H 0.074699 3.191858 -0.737389
H 1.213747 3.946401 0.429861


