%chk=000065815.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065815

0 1
 S    4.601300      -2.295100      -1.207200    
 O   -1.164100      -1.437700      -1.358200    
 O   -4.338200      -1.297900      -1.533900    
 O    1.135600     -0.5202000       1.566900    
 O    5.859600     -0.3135000       1.714400    
 N   -2.608700     -0.9501000      0.3832000    
 N   0.5338000      0.3334000     -0.5152000    
 N    3.705700     -0.2562000      0.9323000    
 N   -4.951400      -3.418500     -0.8850000    
 N   -2.068200       4.011600     -0.2965000    
 N  -0.1254000       5.015100      9.1799997E-02
 C   -3.291200      -2.237300      0.3988000    
 C   -4.040700      -2.262000       1.725800    
 C   -3.088200     -8.6400002E-02   1.459200    
 C   -4.324900     -0.7874000       2.000500    
 C  -0.8391000      0.6300000     -0.2235000    
 C   -1.540600     -0.6837000     -0.4593000    
 C   -4.229000      -2.254500     -0.7706000    
 C   -1.428100       1.711300      -1.120900    
 C    2.776000     -0.4508000     -0.1616000    
 C    1.412800     -0.2201000      0.4086000    
 C    2.892900      -1.854200     -0.7351000    
 C   -1.104300       3.096900     -0.6152000    
 C    5.503400     -0.8141000     -0.6298000    
 C    5.066500     -0.4576000      0.7851000    
 C   8.6099997E-02   3.739200     -0.3678000    
 C    7.001300      -1.087700     -0.7094000    
 C   -1.433000       5.147400      0.1226000    
 H   -2.571700      -3.056900      0.2986000    
 H   -4.955700      -2.860900       1.728200    
 H   -3.381100      -2.651000       2.511500    
 H   -2.309200     -3.5399999E-02   2.227700    
 H   -3.301500      0.9207000       1.091600    
 H   -4.499100     -0.5761000       3.059200    
 H   -5.211700     -0.4698000       1.439000    
 H  -0.8885000      0.9179000      0.8303000    
 H   -1.055800       1.617200      -2.149100    
 H   -2.519300       1.605500      -1.178800    
 H   0.8567000      0.4756000      -1.468300    
 H    2.994400      0.3081000     -0.9227000    
 H    2.557900      -2.601800     -6.3999998E-03
 H    2.251300      -1.964400      -1.616000    
 H    3.361600      2.6900001E-02   1.845600    
 H    5.270200      2.6000001E-02  -1.293300    
 H   -5.624400      -3.542900      -1.634000    
 H   -4.832800      -4.198100     -0.2460000    
 H   -3.068600       3.876300     -0.3574000    
 H    1.086400       3.351800     -0.4972000    
 H    7.302400      -1.912800     -5.3199999E-02
 H    7.312000      -1.326600      -1.732500    
 H    7.568100     -0.2039000     -0.3945000    
 H   -1.976800       6.027600      0.4347000    


%chk=000065815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000065815

0 1
S 4.319678 -1.946056 -1.423295
O -2.208983 -1.021256 -1.689705
O -5.805573 -2.655782 0.618847
O 0.784096 0.116080 1.641759
O 5.438144 -0.632274 2.069637
N -2.659794 -1.175438 0.589874
N 0.155160 0.403871 -0.577130
N 3.375263 -0.234744 1.076250
N -4.847635 -1.970441 -1.395542
N -1.203978 4.223403 -1.877724
N 0.209446 4.940718 -0.268982
C -3.329047 -2.512765 0.464421
C -3.297456 -3.062236 1.902783
C -2.575455 -0.729434 2.022222
C -3.407568 -1.790211 2.781044
C -1.254179 0.713839 -0.265786
C -2.093827 -0.564826 -0.490607
C -4.788116 -2.382716 -0.084741
C -1.794561 1.843176 -1.173895
C 2.505836 -0.192849 -0.097721
C 1.073545 0.119121 0.402817
C 2.549052 -1.541184 -0.867626
C -1.058577 3.144192 -0.987516
C 5.304950 -0.638479 -0.393417
C 4.730658 -0.515552 1.027044
C -0.180983 3.615923 -0.003347
C 6.777793 -1.054431 -0.399661
C -0.425514 5.278734 -1.405750
H -2.747949 -3.118881 -0.255040
H -4.136906 -3.752506 2.077008
H -2.343467 -3.588567 2.085666
H -1.517729 -0.714979 2.343419
H -2.994867 0.285568 2.139773
H -3.028612 -1.942498 3.804597
H -4.465470 -1.482655 2.840211
H -1.274407 1.026867 0.789776
H -1.751551 1.493047 -2.225172
H -2.871877 1.968124 -0.940539
H 0.418641 0.352165 -1.563590
H 2.811923 0.617820 -0.793465
H 2.196266 -2.353945 -0.212320
H 1.933501 -1.505910 -1.782508
H 2.908863 -0.148425 1.988907
H 5.168189 0.322659 -0.924071
H -5.761869 -1.866932 -1.836288
H -3.975691 -1.718429 -1.887779
H -1.782734 4.228096 -2.717360
H 0.196610 3.090868 0.871968
H 6.912164 -2.019702 0.114776
H 7.161136 -1.135018 -1.431956
H 7.374574 -0.302800 0.144866
H -0.356414 6.240551 -1.908132


