%chk=000216828.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216828

0 1
S 0.666445 1.017181 -1.748713
S 4.121295 1.168108 -2.095438
P 2.589557 0.649923 -1.073195
O -1.934716 1.075606 -1.875282
O 2.420014 -0.964477 -0.741722
O 2.458016 1.297742 0.446048
N -2.731173 -0.016367 -0.037106
C -4.139290 0.157567 -0.490889
C -2.503584 -0.788349 1.207856
C -4.812169 1.331115 0.241104
C -2.187634 -2.264620 0.904865
C -1.700679 0.485158 -0.830303
C -0.279673 0.284004 -0.360643
C -6.265400 1.481612 -0.195884
C -1.963963 -3.051517 2.190931
C 3.623461 -1.788046 -0.660446
C 3.666803 1.795727 1.097954
C 3.067190 -3.182736 -0.436274
C 3.147702 2.306976 2.429820
H -4.138895 0.349646 -1.592912
H -4.697669 -0.787795 -0.325886
H -1.679897 -0.325607 1.795431
H -3.411106 -0.716491 1.849671
H -4.756571 1.188377 1.336832
H -4.253992 2.266826 0.029892
H -3.014525 -2.715067 0.320307
H -1.293343 -2.338428 0.253038
H -0.070521 0.809106 0.594859
H -0.026633 -0.788148 -0.210744
H -6.345604 1.672068 -1.273648
H -6.744495 2.324973 0.315916
H -6.856175 0.586004 0.026013
H -1.122153 -2.656552 2.771737
H -1.741376 -4.103824 1.973726
H -2.848295 -3.036526 2.838948
H 4.190315 -1.717197 -1.609941
H 4.241326 -1.444786 0.188832
H 4.387551 0.967700 1.222026
H 4.107999 2.607397 0.486231
H 3.867218 -3.930355 -0.395346
H 2.493514 -3.239734 0.497489
H 2.379746 -3.464543 -1.246950
H 3.948223 2.765400 3.021220
H 2.361474 3.060990 2.279991
H 2.700182 1.499061 3.022484


%chk=000216828-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216828

0 1
S 0.755523 1.244910 -1.782631
S 4.431557 0.865376 -2.163456
P 2.761017 0.496956 -1.002690
O -2.039352 1.510057 -1.712708
O 2.349627 -1.151634 -0.626765
O 2.854625 1.065133 0.656921
N -2.702663 -0.006287 -0.072562
C -4.127892 0.206844 -0.427448
C -2.395665 -0.970719 1.008205
C -4.780850 1.353453 0.378758
C -2.260395 -2.431649 0.511526
C -1.741703 0.694053 -0.778394
C -0.280772 0.456563 -0.391076
C -6.270337 1.528116 0.014288
C -2.008068 -3.413163 1.675542
C 3.450169 -2.054075 -0.171221
C 3.438641 2.415310 0.891085
C 2.837754 -3.447466 -0.067180
C 3.517155 2.592488 2.405084
H -4.176644 0.443376 -1.504770
H -4.671919 -0.741969 -0.254210
H -1.470394 -0.666928 1.530840
H -3.209640 -0.911207 1.756585
H -4.679260 1.150862 1.463996
H -4.226479 2.286533 0.168242
H -3.182740 -2.716946 -0.030897
H -1.433421 -2.493348 -0.222088
H -0.019277 0.954134 0.558273
H -0.007560 -0.606920 -0.329959
H -6.389795 1.759327 -1.060458
H -6.725550 2.354825 0.588263
H -6.849035 0.609475 0.229223
H -1.076430 -3.162398 2.217397
H -1.912594 -4.449363 1.305716
H -2.838542 -3.391938 2.406255
H 4.269750 -2.016685 -0.914057
H 3.824300 -1.690463 0.804103
H 4.436806 2.462568 0.415294
H 2.783054 3.175959 0.423543
H 3.605214 -4.168484 0.270402
H 2.007214 -3.458519 0.660144
H 2.453298 -3.777620 -1.046934
H 3.943635 3.584596 2.643078
H 2.515226 2.525818 2.862702
H 4.160911 1.818154 2.855938


