%chk=000004989.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004989

0 1
 S    3.410700      -1.343600     -0.6106000    
 N   -2.444200      0.9678000     -0.1638000    
 N   -1.639900      -1.270300      0.1730000    
 C   -3.841400      0.5576000     -0.2774000    
 C   -4.040900     -0.7530000      0.4660000    
 C   -3.008700      -1.762500     -8.2999999E-03
 C   -1.445600      1.6100001E-02  7.2999999E-02
 C   -2.168300       2.379000     -0.3995000    
 C  -2.0500001E-02  0.4185000      0.2463000    
 C   0.9056000     -0.4493000     -0.1400000    
 C    2.309800     -0.1774000     -4.1800000E-02
 C    2.913100      0.9351000      0.4668000    
 C    4.332300      0.8354000      0.3907000    
 C    4.737900     -0.3535000     -0.1744000    
 H   -4.097800      0.4395000      -1.336600    
 H   -4.506800       1.318000      0.1474000    
 H   -5.053600      -1.134100      0.2975000    
 H   -3.926100     -0.5883000       1.544900    
 H   -3.122800      -2.687900      0.5664000    
 H   -3.164600      -2.016100      -1.063200    
 H   -3.060200       2.915900     -0.7404000    
 H   -1.402100       2.498700      -1.172400    
 H   -1.822800       2.856100      0.5229000    
 H   0.1840000       1.399700      0.6540000    
 H   0.6288000      -1.406900     -0.5750000    
 H    2.403700       1.795500      0.8813000    
 H    5.021000       1.596800      0.7332000    
 H    5.750300     -0.6881000     -0.3520000    


%chk=000004989-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004989

0 1
S 3.608257 -1.490045 -0.263403
N -2.468864 0.936580 -0.187446
N -1.743421 -1.375822 -0.088089
C -3.904896 0.612292 -0.013562
C -4.095950 -0.807626 0.550333
C -3.161356 -1.780528 -0.205966
C -1.488771 -0.072281 -0.097830
C -2.162432 2.352263 -0.433287
C -0.076601 0.370603 0.011320
C 0.966709 -0.509366 -0.119258
C 2.372472 -0.180217 0.014014
C 3.020587 1.019298 0.331556
C 4.453130 0.929832 0.358706
C 4.936975 -0.339375 0.064296
H -4.428132 0.710517 -0.989560
H -4.357583 1.357789 0.672537
H -5.157112 -1.103319 0.457419
H -3.830610 -0.823708 1.624089
H -3.260643 -2.808012 0.187229
H -3.458677 -1.814754 -1.278485
H -3.028124 2.822767 -0.935032
H -1.296077 2.463084 -1.106538
H -1.964256 2.922616 0.499432
H 0.117540 1.426235 0.231854
H 0.687969 -1.550609 -0.330465
H 2.476925 1.942838 0.546602
H 5.106556 1.774418 0.590882
H 5.967284 -0.686773 0.016654


