%chk=000052283.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052283

0 1
 S   -3.650500       1.847600     -0.4765000    
 S   -1.223400       3.545200      9.5899999E-02
 O    6.251900     -0.6447000      5.3300001E-02
 N   -1.419000      0.7960000      0.3755000    
 N   0.7834000      0.3035000     -0.2972000    
 C   -2.321400     -0.2912000      0.2199000    
 C  -6.0899999E-02  0.5443000      0.8462000    
 C   -3.580000      9.8899998E-02 -0.2351000    
 C   -1.957900       2.045400      4.5100000E-02
 C   -2.055700      -1.633200      0.4737000    
 C    2.146000      6.6900000E-02 -0.2102000    
 C   -4.593700     -0.8237000     -0.4465000    
 C   -3.069300      -2.572300      0.2642000    
 C   -4.330700      -2.170000     -0.1930000    
 C    2.797000      4.8700001E-02   1.037300    
 C    2.915100     -0.1609000      -1.366600    
 C    4.168700     -0.1889000       1.125300    
 C    4.286800     -0.3987000      -1.278500    
 C    4.913500     -0.4127000     -3.2600001E-02
 H   0.2856000       1.433800       1.383200    
 H  -4.6799999E-02 -0.2830000       1.562700    
 H   0.3555000      0.3043000      -1.216000    
 H   -1.089000      -1.984200      0.8164000    
 H   -5.572500     -0.5170000     -0.8008000    
 H   -2.877200      -3.624700      0.4548000    
 H   -5.108200      -2.912200     -0.3515000    
 H    2.256200      0.2176000       1.964600    
 H    2.442200     -0.1533000      -2.346300    
 H    4.645600     -0.1974000       2.101800    
 H    4.861800     -0.5723000      -2.184100    
 H    6.516800     -0.6185000      0.9888000    


%chk=000052283-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052283

0 1
S -3.299850 1.014574 -1.675620
S -1.444624 3.486761 -1.236809
O 5.033094 -2.147835 -0.643967
N -1.355990 1.075590 0.119270
N 1.031197 1.770550 0.268736
C -1.917941 -0.218163 0.257533
C -0.216403 1.626195 0.963642
C -3.007643 -0.441546 -0.631479
C -1.917347 1.903102 -0.846273
C -1.520282 -1.240526 1.148743
C 1.986571 0.743814 0.066557
C -3.710565 -1.658756 -0.644286
C -2.227328 -2.461720 1.140608
C -3.313783 -2.673997 0.256321
C 2.154759 -0.338143 0.970411
C 2.861257 0.825025 -1.054754
C 3.153729 -1.312606 0.753676
C 3.866451 -0.135394 -1.266188
C 4.012012 -1.214243 -0.364823
H -0.562116 2.623278 1.284644
H -0.124680 0.972759 1.842529
H 1.040892 2.546767 -0.399392
H -0.671452 -1.107889 1.824514
H -4.545087 -1.818476 -1.333774
H -1.923060 -3.258622 1.826965
H -3.847676 -3.629489 0.264637
H 1.535874 -0.417595 1.870426
H 2.746810 1.649745 -1.768651
H 3.265004 -2.139654 1.467396
H 4.536305 -0.070124 -2.128533
H 5.051771 -2.860081 0.041743


