%chk=000029285.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029285

0 1
 S    1.311400      0.4509000       1.369300    
 N   -2.500200     -0.9216000     -0.7942000    
 N    4.785000       1.035100     -0.6334000    
 C   -1.832000       3.065700       1.016900    
 C   -3.123000       3.407900      0.2744000    
 C  -0.7954000       2.340500      0.1585000    
 C   -3.946900       2.201100     -0.1729000    
 C   -1.088900      0.8747000     -5.9000002E-03
 C   -3.255100       1.340800      -1.228900    
 C   -2.230800      0.4031000     -0.6476000    
 C  -0.1976000     -7.9999998E-02  0.4911000    
 C  -0.4555000      -1.449000      0.3499000    
 C   -1.636700      -1.830700     -0.3085000    
 C    2.478100      0.5351000     -8.0000004E-03
 C   0.4279000      -2.423500      0.8460000    
 C   -1.899100      -3.190700     -0.4510000    
 C    3.851600      0.9701000      0.4873000    
 C   0.1431000      -3.777000      0.6909000    
 C   -1.022900      -4.161000      4.1000001E-02
 C    4.882400     -0.2657000      -1.296800    
 C    6.104600       1.474300     -0.1782000    
 H   -2.058500       2.488400       1.921900    
 H   -1.391100       4.012900       1.353500    
 H   0.1840000       2.561200      0.5840000    
 H  -0.7525000       2.794900     -0.8408000    
 H   -3.746600       4.018800      0.9391000    
 H   -2.892200       4.037700     -0.5938000    
 H   -4.879700       2.584300     -0.6058000    
 H   -4.230000       1.596000      0.6973000    
 H   -2.792900       1.960400      -2.006400    
 H   -4.023000      0.7420000      -1.735900    
 H    2.495000     -0.4651000     -0.4473000    
 H    2.099800       1.235900     -0.7606000    
 H    1.352900      -2.187300       1.362000    
 H   -2.806300      -3.516300     -0.9568000    
 H    3.770500       1.964200      0.9462000    
 H    4.216900      0.2794000       1.259700    
 H   0.8270000      -4.527700       1.074900    
 H   -1.254500      -5.214500     -8.5400000E-02
 H    5.066800      -1.085100     -0.5924000    
 H    5.706500     -0.2626000      -2.021200    
 H    3.992000     -0.4895000      -1.892300    
 H    6.549400      0.7743000      0.5384000    
 H    6.040100       2.459800      0.2965000    
 H    6.789400       1.581600      -1.026800    


%chk=000029285-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029285

0 1
S 1.353990 1.341779 1.028285
N -2.428921 -0.839606 -0.738437
N 5.055684 0.330021 -0.631402
C -2.339032 3.305642 0.971651
C -3.795000 3.342340 0.451329
C -1.303830 2.751098 -0.054529
C -4.394510 1.971578 0.058905
C -1.245730 1.235347 -0.109605
C -3.639591 1.237475 -1.088051
C -2.389539 0.503189 -0.632184
C -0.138322 0.488776 0.332262
C -0.166088 -0.955533 0.285025
C -1.340584 -1.575887 -0.292248
C 2.656939 0.897972 -0.303774
C 0.879796 -1.801020 0.777907
C -1.407588 -3.001017 -0.398609
C 4.018759 0.657141 0.372963
C 0.786031 -3.191900 0.670576
C -0.359948 -3.798861 0.067972
C 4.976918 -1.061951 -1.119236
C 6.421009 0.689616 -0.198632
H -2.281932 2.710148 1.904152
H -2.039028 4.338155 1.238493
H -0.300640 3.131384 0.203037
H -1.557594 3.151597 -1.057635
H -4.440465 3.807891 1.223209
H -3.835560 4.011641 -0.434249
H -5.440802 2.131400 -0.268142
H -4.441321 1.307452 0.944669
H -3.390930 1.975199 -1.878877
H -4.299078 0.476818 -1.539009
H 2.286192 0.000459 -0.823044
H 2.719255 1.734375 -1.016347
H 1.742066 -1.337269 1.269413
H -2.309407 -3.429303 -0.846838
H 4.326686 1.580665 0.898405
H 3.912977 -0.138178 1.154481
H 1.590920 -3.824328 1.061656
H -0.418686 -4.889837 -0.012857
H 5.210185 -1.815936 -0.324274
H 5.692836 -1.204844 -1.948017
H 3.967692 -1.279564 -1.508122
H 6.781424 0.098153 0.681015
H 6.459981 1.760606 0.067744
H 7.127789 0.520913 -1.031132


