%chk=000186159.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186159

0 1
S 0.627019 0.360885 0.496250
O -1.861464 -1.583466 0.950347
O -1.005429 -2.070001 -1.062331
O 5.564703 -0.369086 0.934233
O 4.980278 0.141528 -1.165170
O -4.253649 1.441098 -1.063323
N -2.621384 0.844353 0.406397
C 2.167172 -0.127297 -0.395430
C -1.802027 0.222557 -0.644785
C -0.469078 0.952371 -0.827886
C 3.284691 0.104195 0.622571
C 2.055522 -1.566047 -0.843518
C -1.488584 -1.244743 -0.324813
C 4.633328 -0.022843 -0.020682
C -3.875114 1.399413 0.093702
C -4.638334 1.932179 1.268482
H 2.310407 0.547624 -1.275652
H -2.386534 0.245817 -1.621653
H -0.596522 2.050927 -0.746400
H -0.044770 0.754978 -1.831014
H 3.207217 -0.601068 1.483831
H 3.211736 1.118915 1.084631
H 2.928920 -1.866769 -1.441256
H 1.974475 -2.272421 -0.007249
H 1.167672 -1.742840 -1.476105
H -2.304127 0.716523 1.365870
H -5.579177 2.396017 0.925373
H -4.912630 1.141231 1.980557
H -4.082697 2.702975 1.819744
H -1.641407 -2.529983 1.170966
H 6.484887 -0.448921 0.564812


%chk=000186159-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186159

0 1
S 0.481419 0.471591 0.511683
O -2.383019 -2.116310 0.705761
O -1.208993 -2.402136 -1.276971
O 5.618637 0.347679 0.995651
O 4.899821 0.157690 -1.203270
O -3.462608 2.223122 -0.918117
N -2.742086 0.472282 0.415443
C 2.120909 -0.051489 -0.339970
C -2.021340 -0.153932 -0.696746
C -0.664969 0.531831 -0.999430
C 3.241994 0.359789 0.635033
C 2.136616 -1.547708 -0.686969
C -1.813995 -1.650948 -0.485277
C 4.622687 0.265389 0.011179
C -3.439557 1.653131 0.217747
C -4.158555 2.214549 1.437452
H 2.195385 0.562310 -1.255038
H -2.638891 -0.026093 -1.611476
H -0.852429 1.583259 -1.264079
H -0.163898 0.013858 -1.833279
H 3.223775 -0.257019 1.552504
H 3.100649 1.408766 0.963734
H 3.061487 -1.794275 -1.241147
H 2.096243 -2.161123 0.231594
H 1.276134 -1.831564 -1.317036
H -2.754569 -0.013547 1.313229
H -3.727454 3.199331 1.688568
H -5.220173 2.377671 1.185658
H -4.093958 1.561806 2.324677
H -2.207834 -3.091171 0.800059
H 6.513672 0.321361 0.559330


