%chk=000014988.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014988

0 1
 S   -2.103500      -2.318400      -1.325600    
 O   0.6928000      3.9700001E-02 -6.7599997E-02
 O  -0.3410000      0.8384000       1.826000    
 N    4.363700     -0.1635000      0.2256000    
 C   -2.777900       1.144300      0.2402000    
 C   -2.368300       2.607000      1.2600000E-02
 C   -1.667700      0.1699000     -0.1245000    
 C   -3.624000       3.323300     -0.4852000    
 C   -3.988300       1.012600     -0.6321000    
 C   -4.450000       2.204300      -1.023000    
 C   -2.107600      -1.280400      3.6400001E-02
 C  -0.3904000      0.4152000      0.6781000    
 C    3.048500     -0.2909000     -0.3843000    
 C    1.963900      0.1657000      0.5783000    
 C   -2.534800      -1.925100       1.176300    
 C    4.815100       1.229800      0.1976000    
 C    5.335700      -1.023300     -0.4540000    
 C   -2.862700      -3.289300      0.9284000    
 C   -2.673900      -3.635200     -0.3915000    
 C    6.156700       1.386300      0.8933000    
 C    5.513800     -0.6103000      -1.905200    
 H   -3.086400       1.010100       1.285900    
 H   -1.979500       3.070600      0.9258000    
 H   -1.581500       2.689300     -0.7492000    
 H   -1.405200      0.3511000      -1.178600    
 H   -4.151400       3.828300      0.3305000    
 H   -3.378700       4.057000      -1.258400    
 H   -4.477900      7.9899997E-02 -0.8736000    
 H   -5.338200       2.346000      -1.621500    
 H    2.953600      0.2670000      -1.325100    
 H    2.830000      -1.337900     -0.6360000    
 H    2.092500       1.213600      0.8669000    
 H    1.971100     -0.4576000       1.481000    
 H   -2.609600      -1.447200       2.144800    
 H    4.846000       1.670200     -0.8052000    
 H    4.112900       1.848700      0.7675000    
 H    4.985500      -2.063300     -0.4175000    
 H    6.300100      -1.045000      6.4199999E-02
 H   -3.218900      -3.981700       1.680000    
 H   -2.843700      -4.598200     -0.8519000    
 H    6.356700       2.449500       1.068200    
 H    6.989000       1.006200      0.2935000    
 H    6.167400      0.8896000       1.869700    
 H    6.180900      -1.332300      -2.391900    
 H    5.994400      0.3647000      -2.023200    
 H    4.585300     -0.6233000      -2.482500    


%chk=000014988-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014988

0 1
S -2.803010 -2.518029 -1.273834
O 0.673860 -0.028132 -0.182510
O -0.377731 0.261420 1.876185
N 4.418914 0.032631 -0.010562
C -2.725992 1.087438 0.208757
C -2.157023 2.510635 -0.109380
C -1.738732 -0.068423 -0.170442
C -3.370384 3.353908 -0.616621
C -4.034373 1.058127 -0.572011
C -4.385493 2.291746 -1.019549
C -2.323586 -1.441505 0.100831
C -0.444352 0.078028 0.638376
C 3.064335 -0.035879 -0.607716
C 2.005762 0.011723 0.502036
C -2.600603 -2.050418 1.317091
C 4.875166 1.423151 0.243567
C 5.414517 -0.861254 -0.653610
C -3.193511 -3.361149 1.194406
C -3.374946 -3.766936 -0.117685
C 6.063587 1.505877 1.219514
C 5.839638 -0.486958 -2.100304
H -2.927341 0.982931 1.295368
H -1.657664 2.962382 0.764541
H -1.404432 2.429149 -0.917995
H -1.478700 0.021620 -1.240120
H -3.783830 3.999115 0.185874
H -3.097468 4.025987 -1.452253
H -4.621285 0.143037 -0.698991
H -5.304053 2.524115 -1.569423
H 2.867209 0.781378 -1.340371
H 2.954307 -0.988710 -1.156457
H 2.065320 0.931678 1.110420
H 2.088834 -0.858744 1.174922
H -2.368140 -1.572019 2.272081
H 5.133181 1.959697 -0.704381
H 4.022623 1.973257 0.685031
H 4.988185 -1.882673 -0.652416
H 6.310749 -0.903121 -0.007548
H -3.472693 -3.979202 2.051304
H -3.794084 -4.694701 -0.502830
H 6.279543 2.561673 1.466200
H 6.985153 1.071073 0.792686
H 5.827479 0.966872 2.153907
H 6.551000 -1.236818 -2.494004
H 6.336608 0.499520 -2.138828
H 4.967957 -0.458096 -2.780058


