%chk=000270199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270199

0 1
S -3.958114 2.363808 1.007277
O 4.607727 -1.846841 -0.023292
O 3.522861 1.505236 0.732297
O 6.541477 -0.539532 1.112055
O 6.601158 -1.371483 3.566484
O -0.401800 1.637176 0.011694
O -3.928056 3.803540 1.160277
O -4.989499 1.573549 1.638199
N 1.670919 0.231502 -0.934369
N -2.005400 0.620618 1.265891
N -2.421370 1.888391 1.732950
C 4.226279 -0.729896 0.780461
C 4.055627 0.502026 -0.144940
C 5.307015 -0.458371 1.849863
C 3.092425 0.216319 -1.319866
C 5.303069 -1.527884 2.955380
C 0.994973 -0.887802 -0.479694
C -0.301902 -0.757406 0.107786
C 1.541686 -2.197877 -0.659425
C -1.050914 -1.933788 0.354219
C -0.843371 0.565878 0.430781
C 0.790985 -3.315028 -0.372571
C -0.528954 -3.190396 0.120103
C -3.867388 1.949251 -0.660364
C -4.523303 0.805584 -1.132102
C -3.147771 2.754238 -1.550871
C -3.731958 1.268487 -3.377674
C -4.457846 0.462870 -2.481541
C -3.078618 2.418867 -2.903150
C -3.647123 0.892146 -4.818850
H 3.250975 -1.028566 1.229312
H 5.045469 0.840336 -0.530461
H 5.226661 0.571500 2.270911
H 3.229496 0.980080 -2.119518
H 3.371755 -0.769230 -1.775209
H 4.530711 -1.337431 3.720912
H 5.196443 -2.548326 2.546818
H 1.305752 1.166233 -0.670147
H 5.590925 -1.813505 -0.194856
H 3.470881 2.371222 0.279504
H 7.289793 -0.706765 1.747766
H 2.567938 -2.302677 -1.024657
H -2.072780 -1.846483 0.732184
H 6.858486 -2.196445 4.023734
H 1.210354 -4.311455 -0.524407
H -1.117575 -4.082677 0.311981
H -2.100949 -0.081439 2.017589
H -1.661845 2.604505 1.690139
H -5.096174 0.179516 -0.437449
H -2.637032 3.654064 -1.190769
H -4.968013 -0.428219 -2.841045
H -2.513197 3.047799 -3.587808
H -4.590450 0.472446 -5.196074
H -3.393303 1.742475 -5.466477
H -2.869736 0.126960 -4.973882


%chk=000270199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270199

0 1
S -4.101078 1.285407 0.270175
O 4.670488 -2.545852 0.600490
O 4.057611 1.056483 -0.061171
O 6.911447 -1.197739 0.775494
O 7.343053 -0.810761 3.359697
O -0.307256 1.122206 -0.089825
O -5.590320 1.616340 0.877865
O -3.568271 -0.289524 0.218035
N 1.689180 -0.643584 -0.463113
N -1.673740 0.781659 1.736103
N -2.281053 1.983683 1.624591
C 4.514096 -1.112360 0.881908
C 4.213357 -0.360970 -0.433072
C 5.804472 -0.595614 1.552915
C 2.951497 -0.900678 -1.156289
C 5.923449 -1.044327 3.015491
C 0.996689 -1.515271 0.353064
C -0.263100 -1.098206 0.948833
C 1.475987 -2.835079 0.647001
C -1.043825 -2.050384 1.675385
C -0.727032 0.276866 0.784682
C 0.699796 -3.722947 1.401522
C -0.582289 -3.351847 1.898654
C -4.130197 1.896666 -1.526088
C -3.048755 1.594935 -2.370885
C -5.249552 2.634176 -1.943081
C -4.218252 2.805343 -4.178030
C -3.107739 2.055298 -3.704768
C -5.284601 3.081519 -3.282857
C -4.251291 3.317360 -5.607049
H 3.655812 -1.003190 1.568220
H 5.082729 -0.491731 -1.115212
H 5.850242 0.505776 1.482393
H 2.890755 -0.416179 -2.151597
H 3.091306 -1.981658 -1.328808
H 5.252801 -0.438164 3.655492
H 5.668868 -2.119414 3.110420
H 1.230772 0.270403 -0.604698
H 5.644571 -2.648832 0.388965
H 4.017980 1.612361 -0.879255
H 7.706681 -1.177503 1.374480
H 2.466940 -3.144523 0.303658
H -2.057823 -1.782039 1.993536
H 7.544405 -1.157427 4.262412
H 1.089278 -4.727865 1.600790
H -1.202139 -4.076526 2.434512
H -2.034952 0.174287 2.474016
H -1.762166 2.484844 0.854061
H -2.193878 1.012778 -2.009652
H -6.068444 2.826547 -1.241780
H -2.280720 1.826296 -4.387205
H -6.153037 3.650068 -3.635555
H -3.777660 2.603791 -6.304150
H -5.284825 3.496940 -5.949804
H -3.702865 4.275259 -5.695815


