%chk=000228802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228802

0 1
S -1.658444 0.781979 -0.196130
O -1.676515 -0.053278 0.996280
O -2.007445 2.175470 -0.118205
O 3.822154 1.999772 0.648858
O 4.099533 -2.614940 0.477121
O -5.687366 -1.198001 -0.565988
N 2.652256 -1.116936 -0.627199
N 4.270856 -0.281804 0.770006
N -2.724666 0.066272 -1.343722
N -4.319629 -1.045807 1.243628
C 2.393788 0.350985 -0.544551
C 1.029931 0.721010 0.051730
C -0.088526 0.600340 -0.977896
C 3.552958 0.867763 0.352159
C 3.707219 -1.500371 0.248774
C -3.313218 -1.247251 -1.020032
C -4.555865 -1.152229 -0.114556
H 2.513769 0.787049 -1.573310
H 1.083768 1.768416 0.437614
H 0.816748 0.087658 0.945388
H 0.046715 1.362023 -1.779271
H -0.020301 -0.363162 -1.526880
H 1.870124 -1.746329 -0.777879
H -3.412362 0.683462 -1.806585
H 5.108818 -0.263089 1.346934
H -3.634483 -1.733005 -1.977785
H -2.550690 -1.924014 -0.571587
H -3.386404 -0.912845 1.635101
H -5.096022 -0.945338 1.881084


%chk=000228802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228802

0 1
S -1.682783 0.458319 -0.075493
O -1.810218 -0.557633 1.211557
O -1.882550 2.062822 0.090752
O 3.656327 2.130213 0.963985
O 4.813623 -2.347264 0.015768
O -6.066032 -0.754649 -0.767625
N 2.999881 -0.968983 -0.687393
N 4.516392 -0.071900 0.703349
N -2.808867 -0.192047 -1.442590
N -4.719847 -0.671706 1.143433
C 2.546131 0.416087 -0.493368
C 1.132670 0.574351 0.127847
C 0.049026 0.130259 -0.854196
C 3.624383 0.977739 0.479380
C 4.174339 -1.273339 -0.000751
C -3.686051 -1.317083 -0.999169
C -4.942528 -0.895001 -0.196726
H 2.601371 0.997424 -1.436335
H 1.004523 1.642119 0.388139
H 1.071385 -0.017599 1.058793
H 0.017540 0.711810 -1.790046
H 0.022858 -0.952433 -1.054934
H 2.588336 -1.640979 -1.331788
H -3.351284 0.640856 -1.750718
H 5.334732 -0.017898 1.310551
H -4.034591 -1.808515 -1.924185
H -3.067019 -2.030607 -0.427921
H -3.768143 -0.723988 1.533628
H -5.496903 -0.346572 1.719157


