%chk=000048744.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048744

0 1
 S    2.315300      0.4763000     -0.6220000    
 O  -2.3900000E-02  -1.717500      -1.226100    
 O   0.5071000       1.937200       1.568200    
 O   -3.427900       1.401600     -0.7064000    
 N   -1.837200     -0.2988000     -0.8809000    
 N   -1.479900       1.608600      0.4698000    
 C   4.3099999E-02 -0.2821000      0.7135000    
 C  -0.5652000      -1.065100       1.891200    
 C    1.563500     -0.5052000      0.6953000    
 C  -0.5770000     -0.8341000     -0.5686000    
 C  -0.2487000       1.191000      0.9475000    
 C  -0.2914000      -2.545800       1.755000    
 C   -2.337400      0.9210000     -0.3861000    
 C   -2.621200     -0.9718000      -1.909800    
 C    4.040200     -5.5000000E-03 -0.3688000    
 C    4.940500      0.6903000      -1.371800    
 H   -1.650300     -0.9100000       1.946100    
 H  -0.1571000     -0.7045000       2.844200    
 H    1.832100      -1.546500      0.4973000    
 H    2.014200     -0.2142000       1.651100    
 H  -0.7666000      -3.068000       2.594400    
 H  -0.7160000      -2.985600      0.8492000    
 H   0.7708000      -2.795300       1.813300    
 H   -1.767300       2.548400      0.7286000    
 H   -3.690500     -0.8693000      -1.703100    
 H   -2.365000      -2.033500      -1.966600    
 H   -2.400600     -0.4972000      -2.870900    
 H    4.345800      0.2641000      0.6471000    
 H    4.134000      -1.089900     -0.4832000    
 H    4.677500      0.4239000      -2.401200    
 H    4.890000       1.779800      -1.270000    
 H    5.981300      0.3912000      -1.208800    


%chk=000048744-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048744

0 1
S 2.473324 1.000497 0.270697
O 0.475998 -1.705553 -0.804809
O -0.222422 1.806252 2.433601
O -2.835170 1.525680 -1.383233
N -1.251513 -0.175626 -1.052019
N -1.517520 1.594257 0.530144
C 0.052191 -0.253878 1.120433
C -0.701745 -1.236031 2.119098
C 1.570677 -0.225552 1.407305
C -0.187581 -0.749747 -0.316084
C -0.534453 1.135592 1.416682
C -0.188637 -2.689561 2.137649
C -1.930319 1.008003 -0.680474
C -1.598585 -0.758292 -2.371471
C 3.440254 -0.216961 -0.832765
C 4.121006 0.568621 -1.961754
H -1.781301 -1.224581 1.868101
H -0.602154 -0.786528 3.125512
H 2.009791 -1.218334 1.232620
H 1.747064 0.097809 2.444485
H -0.828996 -3.292534 2.806901
H -0.207319 -3.149454 1.135214
H 0.844450 -2.755317 2.520856
H -1.971321 2.485570 0.756531
H -2.675268 -0.620565 -2.546371
H -1.327281 -1.823243 -2.358159
H -1.037848 -0.254362 -3.177258
H 4.182816 -0.724487 -0.193241
H 2.719167 -0.956538 -1.216976
H 3.377195 1.080241 -2.598135
H 4.816172 1.329586 -1.563788
H 4.701528 -0.121461 -2.601795


