%chk=000148788.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148788

0 1
 S  -0.4768000      -1.948900      1.4000000E-03
 S    2.553200      -2.068000     -1.8200001E-02
 N    1.206500      0.1316000      7.7000000E-03
 C   -3.923200      0.3500000      4.7899999E-02
 C   -5.401100     -4.6599999E-02  1.7999999E-02
 C   -3.016700     -0.8847000      2.5699999E-02
 C   -6.350800       1.153100      1.4700000E-02
 C   -1.544900     -0.4807000      1.9900000E-02
 C   -7.818100      0.7662000     -8.6599998E-02
 C    1.108100      -1.169100     -2.0999999E-03
 C    3.443900     -0.5916000     -1.2000000E-02
 C    2.548700      0.4823000      2.3000001E-03
 C    4.834600     -0.3977000     -1.9200001E-02
 C    3.066300       1.795700      9.6000005E-03
 C    5.320600      0.9121000     -1.1700000E-02
 C    4.449800       1.996100      2.4999999E-03
 H   -3.720600      0.9422000      0.9484000    
 H   -3.699300      0.9870000     -0.8163000    
 H   -5.626000     -0.6800000      0.8851000    
 H   -5.591900     -0.6544000     -0.8753000    
 H   -3.234700      -1.506400      0.9033000    
 H   -3.244500      -1.483500     -0.8653000    
 H   -6.102600       1.810200     -0.8275000    
 H   -6.198800       1.738300      0.9294000    
 H   -1.334000      0.1299000     -0.8651000    
 H   -1.323200      0.1151000      0.9122000    
 H   -8.114100      0.1361000      0.7580000    
 H   -8.013500      0.2149000      -1.011700    
 H   -8.448700       1.660700     -8.2800001E-02
 H    5.520500      -1.239200     -3.0300001E-02
 H    2.395000       2.649800      2.0600000E-02
 H    6.393700       1.084300     -1.7100001E-02
 H    4.846000       3.007800      8.1000002E-03


%chk=000148788-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148788

0 1
S -0.469927 -1.920483 -0.002778
S 2.652220 -2.164616 -0.001087
N 1.331085 0.197380 0.005830
C -4.035266 0.365181 0.001214
C -5.521320 -0.059311 -0.016944
C -3.068375 -0.845233 -0.009448
C -6.494165 1.142552 0.000079
C -1.603706 -0.385296 0.004623
C -7.977032 0.713562 -0.017142
C 1.124687 -1.100448 0.001196
C 3.597264 -0.609300 0.004263
C 2.706433 0.514246 0.007511
C 4.994568 -0.445175 0.005404
C 3.238853 1.824826 0.011855
C 5.508679 0.872651 0.009752
C 4.638199 1.994602 0.012894
H -3.841472 0.984484 0.901153
H -3.827472 1.011588 -0.876259
H -5.729964 -0.710077 0.857564
H -5.718011 -0.675589 -0.918742
H -3.274027 -1.484654 0.871637
H -3.263554 -1.461331 -0.909272
H -6.284843 1.792489 -0.873810
H -6.295532 1.758209 0.900874
H -1.336757 0.208911 -0.883707
H -1.348657 0.191825 0.907653
H -8.218010 0.085840 0.861508
H -8.208369 0.123059 -0.923692
H -8.652395 1.588512 -0.002633
H 5.671291 -1.304903 0.003017
H 2.555451 2.679116 0.014245
H 6.593227 1.024840 0.010676
H 5.060296 3.005144 0.016165


