%chk=000093607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093607

0 1
 S    2.040000     -0.9210000     -0.4179000    
 O  -0.4096000      -1.626400       1.818700    
 O    5.566900      0.6459000     -0.5144000    
 O    4.607300     -0.9112000      -1.736100    
 N   -3.159300     -0.8737000     -0.8601000    
 N   -1.291000     -1.7999999E-02  0.3663000    
 N    4.567500     -7.4500002E-02 -0.7910000    
 C   -3.631100       1.420800     -0.3601000    
 C   -2.678500     -0.5181000      0.4933000    
 C   -3.580100      0.6247000      0.9355000    
 C   -3.891400      0.3047000      -1.376400    
 C   -2.265800       2.102000     -0.5608000    
 C   -1.085700       1.120200     -0.5528000    
 C   -3.996300      -2.068300     -0.8544000    
 C  -0.2628000     -0.6777000       1.049400    
 C    1.117800     -0.2181000      0.8374000    
 C    1.818400      0.7363000       1.532500    
 C    3.140500      0.8966000       1.026300    
 C    3.393300      5.5900000E-02 -3.5399999E-02
 H   -4.431900       2.166600     -0.3544000    
 H   -2.712800      -1.356000       1.197300    
 H   -3.172900       1.198300       1.774800    
 H   -4.577900      0.2618000       1.210400    
 H   -4.971700      0.1169000      -1.429400    
 H   -3.546600      0.5681000      -2.381600    
 H   -2.120800       2.827200      0.2505000    
 H   -2.257500       2.673800      -1.495900    
 H  -0.9501000      0.6923000      -1.553500    
 H  -0.1663000       1.660800     -0.3143000    
 H   -4.874500      -1.960800     -0.2079000    
 H   -3.420300      -2.934400     -0.5105000    
 H   -4.339000      -2.299200      -1.869000    
 H    1.410100       1.296500       2.364100    
 H    3.860300       1.597800       1.430000    


%chk=000093607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093607

0 1
S 1.612422 -0.096449 -0.826563
O -0.662762 -0.689336 2.442367
O 5.597281 0.017240 -0.553183
O 4.165454 -0.138851 -2.344389
N -3.557260 -0.853889 -0.312398
N -1.489615 0.256090 0.479162
N 4.412962 -0.048806 -1.072768
C -3.911388 1.508841 -0.457316
C -2.905768 -0.201465 0.818436
C -3.794287 1.041263 1.021059
C -4.185734 0.166941 -1.199268
C -2.539122 2.106829 -0.867369
C -1.388128 1.066133 -0.760694
C -2.993426 -2.071483 -0.892420
C -0.452491 -0.154598 1.296988
C 0.978446 -0.000933 0.875992
C 2.028633 0.067338 1.798584
C 3.330566 0.071952 1.214196
C 3.286162 -0.017721 -0.173739
H -4.716366 2.245716 -0.618512
H -2.808992 -0.857751 1.696397
H -3.329278 1.791321 1.681355
H -4.769896 0.739473 1.439124
H -5.271202 -0.025467 -1.314705
H -3.735420 0.168771 -2.216814
H -2.318345 2.974095 -0.216470
H -2.566128 2.473270 -1.911194
H -1.417743 0.398645 -1.646746
H -0.422520 1.596528 -0.777783
H -3.760490 -2.593327 -1.492896
H -2.675447 -2.754243 -0.084893
H -2.110992 -1.890443 -1.553321
H 1.830702 0.085528 2.871554
H 4.268373 0.128589 1.768826


