%chk=000215549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215549

0 1
S 1.025907 -1.809810 0.627112
P 1.104954 0.219547 0.112994
O 2.649862 0.578006 0.545024
O 0.204645 1.012047 1.222937
O -2.242137 -2.473552 0.424004
O 0.669932 0.504183 -1.275692
N -1.879444 -0.873535 -1.179676
C -2.814498 1.162899 -0.066627
C -3.117785 -0.118885 -0.856203
C -2.158789 2.251368 -0.926838
C -1.664008 3.412423 -0.066773
C -1.493713 -1.945177 -0.380942
C -0.094883 -2.476115 -0.646334
C 3.567476 0.937710 -0.529587
C 0.392149 0.767181 2.645308
C 3.993457 -0.279300 -1.326964
C 1.705619 1.326718 3.150084
H -2.156724 0.925636 0.797033
H -3.752972 1.547795 0.375922
H -3.632402 0.114697 -1.814271
H -3.802695 -0.776614 -0.268446
H -2.873635 2.617038 -1.687328
H -1.300047 1.827549 -1.492498
H -1.182935 -0.347468 -1.731141
H -2.479509 3.884917 0.489464
H -1.187422 4.183547 -0.680831
H -0.918112 3.066399 0.663757
H -0.088957 -3.581945 -0.514611
H 0.272344 -2.281731 -1.672715
H 3.120550 1.728493 -1.162315
H 4.404697 1.362668 0.063146
H -0.480871 1.327104 3.046782
H 0.261525 -0.309004 2.868598
H 4.156609 -1.151599 -0.676986
H 3.255395 -0.568933 -2.088248
H 4.936359 -0.092572 -1.857115
H 2.579734 0.753041 2.802088
H 1.858933 2.360906 2.810683
H 1.738393 1.330070 4.246607


%chk=000215549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215549

0 1
S 1.149721 -1.944046 0.566044
P 1.323031 0.283909 -0.027959
O 2.971429 0.720569 0.244844
O 0.512641 1.217793 1.162188
O -2.337423 -2.649839 0.207669
O 0.768855 0.573841 -1.499148
N -1.875535 -0.711737 -1.030815
C -3.102166 1.246195 -0.025248
C -3.190703 -0.082537 -0.812640
C -2.425362 2.399996 -0.801690
C -2.326755 3.691872 0.037398
C -1.547169 -1.935027 -0.484123
C -0.117512 -2.396464 -0.796549
C 3.931743 0.691159 -0.908918
C 0.499906 0.837725 2.610373
C 4.542891 -0.697246 -1.104183
C 1.777398 1.270883 3.330200
H -2.556620 1.065159 0.921876
H -4.133339 1.549815 0.249629
H -3.672625 0.100064 -1.794606
H -3.800496 -0.821277 -0.264299
H -3.000720 2.598197 -1.729910
H -1.406144 2.100187 -1.114576
H -1.135426 -0.175195 -1.507128
H -3.324594 4.022368 0.384671
H -1.878881 4.517636 -0.545221
H -1.691982 3.525647 0.927832
H -0.090088 -3.497274 -0.798862
H 0.270128 -1.995079 -1.746506
H 3.409519 1.048093 -1.815730
H 4.689487 1.433172 -0.608208
H -0.386170 1.374747 2.986844
H 0.320663 -0.251996 2.691490
H 5.015036 -1.052947 -0.172716
H 3.785258 -1.436981 -1.415443
H 5.320500 -0.648196 -1.889482
H 2.664454 0.747783 2.933630
H 1.939175 2.356443 3.220769
H 1.684875 1.038287 4.407905


