%chk=000138233.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138233

0 1
 S    10.40060       1.885200     -4.0399998E-02
 N    8.011600      0.5537000      0.3826000    
 C   -1.078800     -0.5979000      0.2678000    
 C   -2.276300      0.3042000     -4.1099999E-02
 C   0.2703000      5.0000001E-02 -6.0800001E-02
 C   -3.628200     -0.3697000      0.2187000    
 C    1.465700     -0.8765000      0.1734000    
 C   -4.867000      0.4746000     -9.6299998E-02
 C    2.781300     -0.1851000     -0.1925000    
 C   -6.214800     -0.2264000      0.1006000    
 C    3.981000      -1.096900      7.1000002E-02
 C   -7.455200      0.6355000     -0.1543000    
 C    5.293700     -0.4180000     -0.3257000    
 C   -8.770300     -9.0899996E-02  0.1354000    
 C    6.495900      -1.320500     -3.3100002E-02
 C   -9.974500      0.7814000     -0.2221000    
 C    7.821000     -0.6649000     -0.4055000    
 C   -11.28470      5.1500000E-02  2.7600000E-02
 C    9.029000       1.110500      0.1948000    
 H   -1.175700      -1.528300     -0.3055000    
 H   -1.097900     -0.8763000       1.328600    
 H   -2.232200      0.6153000      -1.092000    
 H   -2.207300       1.217300      0.5625000    
 H   0.2656000      0.3695000      -1.110500    
 H   0.3878000      0.9570000      0.5450000    
 H   -3.678100      -1.291600     -0.3745000    
 H   -3.673100     -0.6775000       1.271000    
 H    1.488200      -1.183100       1.226100    
 H    1.348200      -1.786600     -0.4269000    
 H   -4.803200      0.8198000      -1.135800    
 H   -4.842600       1.375100      0.5300000    
 H    2.762200      0.1018000      -1.251000    
 H    2.887400      0.7376000      0.3910000    
 H   -6.259100     -0.6060000       1.129300    
 H   -6.253300      -1.105700     -0.5546000    
 H    4.010700      -1.364300       1.134400    
 H    3.866000      -2.029800     -0.4942000    
 H   -7.398700       1.538200      0.4664000    
 H   -7.442500      0.9690000      -1.199200    
 H    5.272700     -0.1695000      -1.393700    
 H    5.387700      0.5258000      0.2241000    
 H   -8.812200     -0.3677000       1.195600    
 H   -8.807500      -1.021500     -0.4437000    
 H    6.393600      -2.259200     -0.5906000    
 H    6.505500      -1.578000       1.033300    
 H   -9.955400       1.702900      0.3713000    
 H   -9.923600       1.073700      -1.277400    
 H    8.631400      -1.380500     -0.2117000    
 H    7.825500     -0.4368000      -1.479900    
 H   -11.34890     -0.8580000     -0.5783000    
 H   -11.38240     -0.2294000       1.081100    
 H   -12.13190      0.6936000     -0.2329000    


%chk=000138233-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000138233

0 1
S 8.918894 2.801900 1.510735
N 8.297708 0.382559 0.158115
C -1.059287 -0.596605 0.186714
C -2.282523 0.273367 -0.180923
C 0.287793 0.012180 -0.263236
C -3.627942 -0.365792 0.229616
C 1.506247 -0.868359 0.095696
C -4.859199 0.495122 -0.129917
C 2.853399 -0.263960 -0.361720
C -6.201137 -0.186165 0.219338
C 4.069259 -1.149517 -0.005705
C -7.439056 0.673992 -0.120028
C 5.417521 -0.535334 -0.447697
C -8.777615 -0.030154 0.199804
C 6.622600 -1.434852 -0.099698
C -10.018128 0.824002 -0.149256
C 7.991124 -0.836303 -0.521006
C -11.350281 0.099472 0.143760
C 8.557423 1.409196 0.729632
H -1.176559 -1.601534 -0.270691
H -1.040736 -0.756170 1.285078
H -2.284921 0.457891 -1.275615
H -2.184220 1.268411 0.301330
H 0.265654 0.176874 -1.360836
H 0.411186 1.013795 0.199041
H -3.722303 -1.358427 -0.259400
H -3.623493 -0.559934 1.322781
H 1.531159 -1.028706 1.193642
H 1.379843 -1.871114 -0.363294
H -4.839377 0.727115 -1.215628
H -4.793332 1.470786 0.395762
H 2.827231 -0.100668 -1.459127
H 2.981739 0.736717 0.100284
H -6.214772 -0.437526 1.300826
H -6.269531 -1.152738 -0.322838
H 4.088197 -1.320479 1.090563
H 3.945348 -2.147208 -0.476360
H -7.385535 1.632132 0.437948
H -7.416171 0.940253 -1.197626
H 5.397588 -0.353101 -1.542278
H 5.542655 0.454318 0.034827
H -8.806459 -0.292724 1.277879
H -8.827686 -0.989786 -0.355824
H 6.524031 -2.411899 -0.613549
H 6.639854 -1.641005 0.987978
H -9.979113 1.773821 0.421832
H -9.977007 1.103162 -1.221796
H 8.796456 -1.570940 -0.319177
H 7.988666 -0.647099 -1.614061
H -11.428818 -0.835253 -0.442772
H -11.428178 -0.169119 1.214198
H -12.220994 0.732006 -0.109924


