%chk=000054547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054547

0 1
 S   -2.108600     -6.7199998E-02  -2.531300    
 S    4.065900       2.295600       2.090300    
 O   -1.383600      -2.756900       1.190700    
 O   -5.302500       2.442100     -0.1723000    
 O   -3.900100     -0.2814000       2.503000    
 O   -4.757200      -2.073800       1.370500    
 O    1.921300     -0.3693000      -2.296700    
 O    5.367700      -1.322100      0.2080000    
 N   -2.166200     -0.8810000     -4.6999999E-03
 N    1.024800      -1.257300     -0.3173000    
 N    4.187800      -1.610500     -0.4918000    
 N    4.376300       1.594000     -0.3784000    
 N    5.239000       3.723900      0.1783000    
 C   -1.267800     -0.2286000     -0.9397000    
 C  -0.3512000      -1.459900     -0.7692000    
 C   -1.329000      -1.873400      0.3675000    
 C   -3.426400     -0.4486000      0.2578000    
 C   -4.047600      0.4489000     -0.5440000    
 C   -3.444300      0.9706000      -1.846300    
 C   -5.411600       1.038100     -0.2756000    
 C   -4.109700      -1.047200       1.414200    
 C    2.010600     -0.7326000      -1.135000    
 C    3.347400     -0.6210000     -0.4485000    
 C    3.729200      0.5901000      0.2848000    
 C   -6.563100       3.055400      8.1600003E-02
 C    3.465800      0.7624000       1.610200    
 C    4.608400       2.559000      0.4836000    
 C    6.224700      -2.449100      0.1105000    
 H  -0.8526000      0.7055000     -0.5416000    
 H  -0.3776000      -2.184500      -1.594500    
 H   -3.057000       1.983600      -1.692000    
 H   -4.217600       1.021700      -2.620200    
 H    1.285800      -1.510400      0.6330000    
 H   -6.085900      0.7758000      -1.100500    
 H   -5.854100      0.6444000      0.6453000    
 H   -4.341000     -0.6448000       3.300400    
 H   -6.412300       4.136400      0.1428000    
 H   -6.974200       2.704700       1.033100    
 H   -7.261900       2.844300     -0.7336000    
 H    2.971500      0.1010000       2.308000    
 H    5.576000       3.919500     -0.7586000    
 H    5.398800       4.443800      0.8752000    
 H    6.473200      -2.649000     -0.9364000    
 H    7.147400      -2.230600      0.6546000    
 H    5.751300      -3.327400      0.5601000    


%chk=000054547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054547

0 1
S -2.333837 2.461539 -0.602695
S 6.554944 2.725859 -1.664924
O -1.108956 -1.716992 -2.224194
O -6.368291 1.298627 1.161010
O -3.033275 -2.860389 -0.268861
O -5.200604 -2.259332 -0.857649
O 2.106338 1.853116 -1.757698
O 4.421688 -1.219088 1.111747
N -2.159121 -0.310879 -0.511233
N 1.056703 0.182938 -0.529388
N 3.275483 -0.644047 0.486348
N 5.922185 0.829067 0.135625
N 8.216459 1.496859 0.250918
C -1.404502 0.892911 -0.097500
C -0.247185 0.459245 -1.070066
C -1.165490 -0.761722 -1.436727
C -3.545299 -0.529876 -0.345891
C -4.398025 0.497280 0.009531
C -3.940943 1.924154 0.250754
C -5.887075 0.279945 0.217567
C -4.031914 -1.924439 -0.537143
C 2.178740 0.892428 -0.931123
C 3.485365 0.413977 -0.295710
C 4.742895 1.115450 -0.594065
C -7.817214 1.223066 1.341876
C 4.880135 2.093254 -1.583416
C 6.944422 1.552621 -0.267684
C 3.970558 -2.387266 1.900492
H -1.163208 0.928877 0.975915
H -0.130571 1.157221 -1.918756
H -3.837494 2.105002 1.334896
H -4.712757 2.626362 -0.103459
H 1.227722 -0.599541 0.113167
H -6.417500 0.386672 -0.757249
H -6.110477 -0.738351 0.590272
H -3.364341 -3.769462 -0.499646
H -8.080928 2.025337 2.048142
H -8.123233 0.243149 1.764578
H -8.354487 1.382114 0.382897
H 4.103557 2.476621 -2.238890
H 8.396946 0.839085 1.005850
H 8.963249 2.092413 -0.091836
H 3.493048 -3.136808 1.245684
H 4.895795 -2.790677 2.340114
H 3.270293 -2.072124 2.693723


