%chk=000212887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212887

0 1
S 5.600156 0.374739 1.065795
S -5.602293 0.371217 1.053941
O 6.178879 1.461498 0.307872
O 6.199637 -0.021866 2.343513
O -6.204176 -0.025817 2.330393
O -6.180096 1.457672 0.294879
N 0.000952 3.094974 -1.639982
N 4.010047 0.820071 1.540992
N -4.013427 0.817450 1.532446
N 5.700933 -2.597596 1.898280
N -5.702564 -2.601205 1.886157
C 0.725860 1.826726 0.166462
C -0.726983 1.826256 0.164916
C 1.144404 2.628062 -0.951499
C -1.143663 2.627322 -0.953934
C 1.678877 1.230384 0.990830
C -1.681365 1.229296 0.987251
C 3.038127 1.440523 0.702791
C -3.040138 1.438552 0.696318
C 2.502064 2.841528 -1.227814
C -2.500869 2.839914 -1.233135
C 3.439714 2.251711 -0.391213
C -3.439918 2.249490 -0.398532
C 5.406253 -0.994133 0.078731
C -5.405547 -0.997489 0.067205
C 5.480019 -2.320155 0.562181
C -5.479311 -2.323575 0.550479
C 5.152972 -0.787483 -1.296369
C -5.149769 -0.790622 -1.307398
C 5.279506 -3.415390 -0.338654
C -5.276296 -3.418641 -0.349995
C 4.963718 -1.846188 -2.164193
C -4.958104 -1.849173 -2.174884
C 5.023819 -3.169816 -1.670905
C -5.018221 -3.172853 -1.681746
H 0.001560 3.736175 -2.406601
H 1.365070 0.617369 1.830795
H -1.368949 0.616485 1.827883
H 2.814580 3.460768 -2.064244
H -2.812004 3.458956 -2.070226
H 4.505784 2.448973 -0.564498
H -4.505740 2.446086 -0.574081
H 3.715311 0.664587 2.511758
H -3.720594 0.662019 2.503797
H 5.112954 0.240081 -1.679863
H -5.109737 0.236981 -1.690787
H 5.326795 -4.433729 0.036095
H -5.323585 -4.437024 0.024637
H 4.769193 -1.672885 -3.218887
H -4.761675 -1.675703 -3.229199
H 4.868481 -4.001524 -2.361673
H -4.860969 -4.004435 -2.372232
H 5.868899 -3.545622 2.192309
H 6.024121 -1.867608 2.551789
H -5.870473 -3.549358 2.179818
H -6.027620 -1.871476 2.539029


%chk=000212887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212887

0 1
S 5.148292 -0.177679 0.374541
S -5.148025 -0.181699 0.367347
O 5.710370 0.639593 -0.911394
O 6.162018 -0.858993 1.473412
O -6.161288 -0.865165 1.465322
O -5.710658 0.636345 -0.917860
N -0.000297 3.871632 -1.231655
N 4.123391 1.196990 1.467695
N -4.124990 1.193037 1.462237
N 4.180365 -2.799653 1.844566
N -4.178126 -2.804383 1.834663
C 0.730358 2.287846 0.274618
C -0.731436 2.287180 0.273684
C 1.146861 3.286873 -0.675688
C -1.147632 3.285898 -0.677080
C 1.705150 1.541515 0.963261
C -1.706421 1.539867 0.960991
C 3.082775 1.833582 0.746673
C -3.084031 1.830736 0.742712
C 2.510054 3.558953 -0.929681
C -2.510748 3.556857 -0.932685
C 3.470644 2.834668 -0.206495
C -3.471597 2.831669 -0.210751
C 3.963697 -1.501263 -0.246309
C -3.962256 -1.503600 -0.254797
C 3.617794 -2.605912 0.593400
C -3.615714 -2.608962 0.583680
C 3.418822 -1.294878 -1.527759
C -3.417468 -1.295473 -1.536009
C 2.645171 -3.509944 0.058162
C -2.642614 -3.511884 0.047424
C 2.470996 -2.210090 -2.026339
C -2.469142 -2.209606 -2.035616
C 2.086330 -3.308342 -1.215101
C -2.083895 -3.308572 -1.225619
H -0.000188 4.613601 -1.928758
H 1.417888 0.753900 1.670819
H -1.419336 0.752384 1.668768
H 2.818293 4.320216 -1.653511
H -2.818759 4.317944 -1.656798
H 4.538708 3.023568 -0.343432
H -4.539659 3.019671 -0.348956
H 3.775722 0.604889 2.249848
H -3.777837 0.600783 2.244499
H 3.756725 -0.436085 -2.117840
H -3.755908 -0.436245 -2.125146
H 2.350425 -4.378180 0.659693
H -2.347388 -4.380627 0.647987
H 2.041756 -2.070760 -3.022440
H -2.040020 -2.068953 -3.031581
H 1.350264 -4.028148 -1.591430
H -1.347526 -4.027616 -1.602823
H 3.929822 -3.627581 2.379691
H 5.033005 -2.273589 2.087527
H -3.927133 -3.632790 2.368836
H -5.031004 -2.279027 2.078293


