%chk=000163066.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163066

0 1
 S   0.5163000       1.123600      0.8834000    
 S  -0.5177000       1.119700     -0.8917000    
 O    3.591900      0.6010000       1.690500    
 O   -3.594000      0.6063000      -1.688600    
 O    6.366200      -2.068000       1.775000    
 O   -6.361400      -2.069700      -1.776600    
 O    6.837000     -0.3142000      0.3972000    
 O   -6.836100     -0.3197000     -0.3952000    
 N    4.216400     -0.2718000     -0.3600000    
 N   -4.215100     -0.2719000      0.3607000    
 C    4.758600      -1.524200      0.1503000    
 C   -4.754500      -1.524700     -0.1516000    
 C    4.892900      -2.417000      -1.077900    
 C   -4.885600      -2.420300       1.074900    
 C    5.120700      -1.424300      -2.215200    
 C   -5.115400      -1.430200       2.214200    
 C    4.257900     -0.2355000      -1.819700    
 C   -4.256000     -0.2385000       1.820500    
 C    3.606600      0.6647000      0.4601000    
 C   -3.608200      0.6676000     -0.4581000    
 C    2.944900       1.818100     -0.2508000    
 C   -2.949100       1.821500      0.2547000    
 C    6.092200      -1.212300      0.7601000    
 C   -6.089100      -1.215300     -0.7602000    
 C    1.782200       2.377500      0.5704000    
 C   -1.791400       2.379900     -0.5695000    
 C    4.004200       2.891500     -0.4852000    
 C   -4.014200       2.886300      0.4883000    
 H    4.085500      -1.932900      0.9114000    
 H   -4.080700      -1.930300     -0.9138000    
 H    5.700000      -3.151900      -1.002100    
 H    3.952400      -2.954500      -1.250000    
 H   -5.690900      -3.157200      0.9982000    
 H   -3.943600      -2.955600       1.245500    
 H    4.852900      -1.830800      -3.194500    
 H    6.176300      -1.129800      -2.247600    
 H   -4.846000      -1.837900       3.192500    
 H   -6.171800      -1.138600       2.247700    
 H    3.235400     -0.3662000      -2.190900    
 H    4.659100      0.7067000      -2.195800    
 H   -3.232900     -0.3672000       2.190800    
 H   -4.659400      0.7019000       2.198900    
 H    2.554800       1.505700      -1.223700    
 H   -2.556900       1.509100       1.226700    
 H    1.334100       3.248400      7.9099998E-02
 H    2.137500       2.726000       1.547400    
 H   -1.338900       3.249500     -7.9800002E-02
 H   -2.147700       2.728500      -1.546100    
 H    3.588200       3.721500      -1.066200    
 H    4.878800       2.513300      -1.021200    
 H    4.367600       3.299000      0.4657000    
 H   -3.603300       3.719700       1.068100    
 H   -4.886500       2.504200       1.025100    
 H   -4.380800       3.291400     -0.4625000    
 H    7.236700      -1.881100       2.186800    
 H   -7.232600      -1.884300      -2.187600    


%chk=000163066-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163066

0 1
S 0.413206 0.789475 1.060442
S -0.413590 0.788374 -1.058833
O 4.024807 0.676612 1.846430
O -4.025223 0.671767 -1.846291
O 7.093672 -1.693598 1.527146
O -7.092119 -1.701367 -1.527522
O 7.008116 0.124051 0.080754
O -7.008388 0.116450 -0.081231
N 4.181993 -0.321306 -0.231690
N -4.181921 -0.326399 0.231740
C 5.040308 -1.391908 0.308693
C -5.039183 -1.397729 -0.308860
C 5.057788 -2.446154 -0.836867
C -5.055981 -2.452043 0.836661
C 4.926205 -1.580513 -2.116402
C -4.925445 -1.586322 2.116251
C 3.953796 -0.450410 -1.697918
C -3.953923 -0.455370 1.698016
C 3.722272 0.672142 0.607908
C -3.722842 0.667457 -0.607730
C 2.880459 1.799750 -0.012891
C -2.882424 1.795997 0.013327
C 6.450346 -0.863140 0.602876
C -6.449611 -0.870180 -0.603331
C 1.724044 2.160578 0.930594
C -1.726022 2.157936 -0.929758
C 3.801932 3.032448 -0.240471
C -3.805201 3.027796 0.240428
H 4.630970 -1.787080 1.252282
H -4.629304 -1.792518 -1.252375
H 5.965430 -3.070924 -0.820640
H 4.181184 -3.108431 -0.721123
H -5.963056 -3.077628 0.820215
H -4.178745 -3.113510 0.721077
H 4.547345 -2.151555 -2.979955
H 5.906899 -1.151191 -2.386508
H -4.546284 -2.157060 2.979873
H -5.906576 -1.157863 2.386140
H 2.900000 -0.723880 -1.901538
H 4.176273 0.496227 -2.220504
H -2.899941 -0.727969 1.901830
H -4.177307 0.491051 2.220606
H 2.450844 1.486901 -0.982035
H -2.452863 1.483676 0.982667
H 1.216937 3.086641 0.613502
H 2.092808 2.265549 1.967507
H -1.220144 3.084651 -0.612611
H -2.094492 2.262308 -1.966843
H 3.234011 3.863798 -0.696166
H 4.645345 2.780291 -0.908320
H 4.226607 3.374696 0.719770
H -3.238263 3.859768 0.696218
H -4.648601 2.774900 0.908013
H -4.229873 3.369516 -0.720003
H 8.008989 -1.344699 1.704368
H -8.007760 -1.353358 -1.704818


