%chk=000068195.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068195

0 1
 S   -3.933800     -9.8399997E-02  0.1675000    
 S    2.781800      -1.828600     -0.4091000    
 O   -4.630600     -0.8769000     -0.8397000    
 O   -4.486600     -5.2999998E-03   1.506200    
 O    4.076900      -2.243500      9.7199999E-02
 O    2.409400      -2.139400      -1.775800    
 N   -3.630400       1.486600     -0.4404000    
 N    1.556600      -2.369900      0.6742000    
 N    2.483400       4.072800      0.2564000    
 C   -2.303300     -0.7732000      0.3183000    
 C   0.2419000      -1.826300      0.5528000    
 C   -1.754100      -1.449600     -0.7550000    
 C   -1.614700     -0.6088000       1.505700    
 C    2.692700     -7.1999997E-02 -0.2110000    
 C  -0.4699000      -1.981000     -0.6366000    
 C  -0.3305000      -1.140200       1.624000    
 C   -2.797800       2.398200      0.3850000    
 C   -3.340000       1.628600      -1.889900    
 C    3.472700      0.5371000      0.7553000    
 C    1.845100      0.6558000      -1.026400    
 C    3.402400       1.921300      0.9118000    
 C    1.775100       2.040100     -0.8698000    
 C    2.553700       2.672700      9.9200003E-02
 H   -2.292000      -1.579000      -1.688900    
 H   -2.040400     -7.3399998E-02   2.348400    
 H    1.860800      -2.555100       1.639000    
 H  -5.9500001E-02  -2.533500      -1.476100    
 H   0.2162000      -1.010600       2.554500    
 H   -3.046000       2.295700       1.444900    
 H   -3.005600       3.435600      0.1041000    
 H   -1.733000       2.199100      0.2352000    
 H   -4.066200       1.068300      -2.484700    
 H   -2.329200       1.280100      -2.118400    
 H   -3.425300       2.679900      -2.183000    
 H    4.133000     -3.0999999E-02   1.403100    
 H    1.235800      0.1860000      -1.791500    
 H    4.012700       2.402600       1.671700    
 H    1.109900       2.614700      -1.509500    
 H    1.865900       4.617600     -0.3306000    
 H    3.045800       4.532000      0.9603000    


%chk=000068195-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068195

0 1
S -4.279867 -0.365911 -0.075504
S 2.900388 -1.816768 -0.179407
O -4.770030 -1.007853 -1.486654
O -5.082009 -0.546078 1.328294
O 4.118950 -2.413294 0.712813
O 2.554378 -2.313469 -1.682888
N -4.255578 1.513094 -0.382247
N 1.420342 -2.273959 0.889809
N 3.385900 4.218315 -0.288986
C -2.507526 -0.943349 0.217551
C 0.119329 -1.799566 0.652368
C -1.737073 -1.350847 -0.888178
C -2.021897 -0.971932 1.537113
C 3.029368 0.045128 -0.211268
C -0.419659 -1.793497 -0.669628
C -0.692722 -1.383266 1.750482
C -3.813804 2.234845 0.831816
C -3.508782 1.828007 -1.620529
C 3.757475 0.678936 0.814564
C 2.424784 0.752743 -1.268064
C 3.875097 2.077507 0.785667
C 2.544233 2.151871 -1.290023
C 3.266320 2.836907 -0.263210
H -2.180465 -1.372695 -1.889228
H -2.673609 -0.693753 2.371844
H 1.756253 -2.369439 1.857145
H 0.189815 -2.168689 -1.497276
H -0.285031 -1.400875 2.767960
H -4.348602 1.822926 1.703752
H -4.116804 3.291444 0.715112
H -2.714267 2.198034 1.007926
H -3.836062 1.139617 -2.417487
H -2.401109 1.779151 -1.507650
H -3.787597 2.854360 -1.921642
H 4.246199 0.085979 1.594644
H 1.900869 0.215861 -2.064879
H 4.447107 2.590768 1.566831
H 2.089879 2.721749 -2.108311
H 2.975372 4.765662 -1.040591
H 3.913336 4.711440 0.426357


