%chk=000212888.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212888

0 1
S -2.838120 0.687034 1.859129
S 4.908410 0.503994 -1.458963
O -3.627767 -0.063712 2.796713
O -1.773140 1.558450 2.294725
O 5.878246 0.115934 -2.459725
O 4.477669 1.871238 -1.313808
O -4.029620 -3.655460 -1.259826
O -2.122087 -4.300735 -2.051557
O -5.012428 -1.035508 0.359696
O -4.333507 -2.882728 1.294775
N 0.061161 -2.831961 -1.922928
N -2.830021 -3.550379 -1.389181
N -3.946653 1.536568 0.885401
N -4.179073 -1.865671 0.668431
N 5.615952 -0.042162 0.009547
C -0.114017 -0.997133 -0.512675
C 1.228476 -1.011802 -1.071287
C -0.802756 -2.147618 -1.072134
C 1.312084 -2.156255 -1.937779
C -2.108734 -0.450806 0.725251
C -2.147997 -2.421258 -0.736500
C -0.772297 -0.163060 0.366660
C -2.757629 -1.559415 0.201259
C 2.339185 -0.183172 -0.920367
C 3.504617 -0.504058 -1.618147
C 2.477372 -2.471993 -2.641334
C 3.571408 -1.624964 -2.465969
C -3.651813 2.624571 0.014039
C 5.139961 0.240266 1.320339
C -2.459866 3.361786 0.123501
C -4.600805 2.947671 -0.980702
C 4.245460 1.297792 1.567122
C 5.571947 -0.587068 2.380211
C -2.221342 4.407597 -0.771059
C -4.341209 3.998773 -1.858597
C -3.150706 4.728475 -1.764153
C 3.767968 1.499498 2.863764
C 5.085099 -0.361604 3.667061
C 4.175115 0.672279 3.914183
H -0.176960 -3.686388 -2.429985
H -0.260622 0.715582 0.795007
H 2.286385 0.698572 -0.270707
H 2.532421 -3.336886 -3.299262
H 4.504332 -1.835002 -3.010097
H -4.925903 1.195432 0.846950
H 6.498626 -0.569931 -0.033619
H -1.734821 3.162694 0.917481
H -5.528064 2.385536 -1.064884
H 3.963925 2.000670 0.777644
H 6.276226 -1.394357 2.200109
H -1.298347 4.982605 -0.685039
H -5.073514 4.251693 -2.625889
H -2.954153 5.544532 -2.454818
H 3.074841 2.319969 3.056780
H 5.416694 -0.999405 4.486992
H 3.794692 0.837181 4.919320


%chk=000212888-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212888

0 1
S -2.769403 0.950939 2.166715
S 5.101894 0.824119 -1.479137
O -3.440510 0.033323 3.321356
O -1.538496 1.963139 2.478985
O 6.104170 0.444263 -2.700140
O 4.567062 2.326583 -1.185324
O -4.035631 -3.365439 -1.229425
O -2.026603 -4.159161 -1.968102
O -4.966367 -0.796913 0.592891
O -4.198620 -2.731428 1.534362
N 0.153507 -2.604213 -1.830122
N -2.753999 -3.311205 -1.295138
N -4.209098 2.048857 1.378480
N -4.051393 -1.671467 0.844638
N 6.065804 0.282768 0.129501
C -0.022085 -0.772714 -0.448785
C 1.311549 -0.776057 -1.033532
C -0.703024 -1.931861 -0.976640
C 1.388588 -1.933446 -1.883521
C -2.003185 -0.237390 0.822079
C -2.046735 -2.217822 -0.621278
C -0.685471 0.081079 0.445078
C -2.681952 -1.361520 0.319326
C 2.425481 0.081900 -0.909981
C 3.570566 -0.278479 -1.634828
C 2.549797 -2.262841 -2.612594
C 3.666464 -1.414082 -2.472416
C -3.852499 2.677369 0.154094
C 5.280945 0.190912 1.313199
C -2.975517 3.799339 0.200205
C -4.390666 2.241477 -1.093103
C 4.775829 1.391707 1.889115
C 5.029378 -1.058951 1.948745
C -2.656046 4.481140 -0.989979
C -4.090343 2.955383 -2.270762
C -3.216176 4.068568 -2.225142
C 4.025884 1.331739 3.080764
C 4.313351 -1.100387 3.163663
C 3.797372 0.091086 3.726714
H -0.119457 -3.479178 -2.285853
H -0.215190 0.968977 0.883146
H 2.407992 0.991741 -0.302341
H 2.591557 -3.137470 -3.268005
H 4.594130 -1.598242 -3.024682
H -4.962435 1.338156 1.273946
H 6.528567 -0.600402 -0.156037
H -2.577634 4.120180 1.167342
H -5.047762 1.364000 -1.123884
H 4.990510 2.345676 1.398645
H 5.409687 -1.985749 1.500018
H -1.984141 5.345169 -0.955622
H -4.526125 2.638853 -3.224468
H -2.976275 4.613817 -3.144308
H 3.635300 2.255948 3.519886
H 4.144808 -2.060925 3.662613
H 3.226946 0.055036 4.660741


