%chk=000024652.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024652

0 1
 S   -2.139400      0.8673000       1.823100    
 S    4.550600       2.392700      0.5597000    
 N   -5.173400       2.168500     -0.5209000    
 C   -1.136400      0.2764000      0.3943000    
 C   0.2606000      0.7968000      0.4349000    
 C   -1.238200      -1.236300      0.1802000    
 C   -3.739600      0.8956000      0.9914000    
 C   -3.875200       2.156300      0.1466000    
 C    1.138900      0.3588000       1.426100    
 C   0.6891000       1.721200     -0.5178000    
 C   -1.259900      -2.095900       1.278500    
 C   -1.310400      -1.754600      -1.112800    
 C    2.874200       1.769400      0.5118000    
 C    2.445800      0.8450000       1.464500    
 C    1.995800       2.207500     -0.4794000    
 C   -1.425800      -3.992200     -0.2091000    
 C    5.135300      0.3479000      -1.252800    
 C   -1.353800      -3.473800       1.083800    
 C   -1.404100      -3.132500      -1.307500    
 C    5.176500       1.864000      -1.062100    
 C    6.005000     -0.4214000     -0.2549000    
 C   -5.535600       3.530300     -0.9153000    
 C   -5.158500       1.287300      -1.689100    
 C   -1.526300      -5.465600     -0.4170000    
 C    6.004700      -1.912600     -0.5560000    
 H   -1.610200      0.7213000     -0.4874000    
 H   -3.864700     -2.5900001E-02  0.4168000    
 H   -4.512900      0.8890000       1.768200    
 H   -3.064000       2.280000     -0.5803000    
 H   -3.810200       3.015700      0.8289000    
 H   0.8321000     -0.3528000       2.186400    
 H   1.8200001E-02   2.075500      -1.295900    
 H   -1.187200      -1.734100       2.299500    
 H   -1.292800      -1.096500      -1.977400    
 H    3.116400      0.4931000       2.244500    
 H    2.304800       2.933300      -1.227300    
 H    4.105400     -2.5599999E-02  -1.219000    
 H    5.496400      0.1325000      -2.267100    
 H   -1.364100      -4.134000       1.947100    
 H   -1.457600      -3.524400      -2.319700    
 H    6.208400       2.220000      -1.152200    
 H    4.601400       2.355800      -1.853200    
 H    7.034900     -4.8099998E-02 -0.2945000    
 H    5.645400     -0.2790000      0.7693000    
 H   -4.807100       3.967400      -1.608000    
 H   -6.520000       3.543100      -1.396500    
 H   -5.611700       4.180600     -3.6600001E-02
 H   -6.134500       1.303400      -2.188200    
 H   -4.399800       1.583200      -2.423000    
 H   -4.982100      0.2436000      -1.412300    
 H  -0.5261000      -5.902800     -0.4966000    
 H   -2.054700      -5.946600      0.4132000    
 H   -2.085000      -5.698900      -1.329800    
 H    4.992200      -2.324200     -0.4950000    
 H    6.632100      -2.445100      0.1656000    
 H    6.397200      -2.111100      -1.558400    


%chk=000024652-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000024652

0 1
S -1.966591 1.526889 1.557956
S 5.000305 1.805509 1.258344
N -5.513505 1.917644 -0.670018
C -0.997781 0.532885 0.207889
C 0.482252 0.808450 0.462904
C -1.394134 -0.936437 0.155761
C -3.744555 1.248359 0.968367
C -4.115452 2.140989 -0.229895
C 1.320966 -0.104651 1.147497
C 1.041123 2.034629 0.012202
C -1.671369 -1.700376 1.317588
C -1.464645 -1.585554 -1.103239
C 3.230893 1.414208 0.910225
C 2.686388 0.191056 1.363594
C 2.397779 2.341924 0.238501
C -2.052555 -3.727492 -0.036300
C 5.769181 0.500642 -1.207094
C -1.995046 -3.070605 1.220561
C -1.787133 -2.957355 -1.197408
C 5.680342 1.876156 -0.525947
C 6.802302 -0.454567 -0.569833
C -6.070195 3.073686 -1.402189
C -5.693312 0.656348 -1.418194
C -2.372441 -5.209274 -0.132689
C 6.838715 -1.833366 -1.263175
H -1.277081 1.014112 -0.746875
H -3.852223 0.173213 0.748377
H -4.381995 1.490533 1.834927
H -3.386683 1.978039 -1.067001
H -4.013177 3.197131 0.079247
H 0.916435 -1.061375 1.491791
H 0.398105 2.761977 -0.497914
H -1.661081 -1.200833 2.293523
H -1.260793 -1.013275 -2.017131
H 3.331910 -0.527663 1.878800
H 2.806244 3.304722 -0.087951
H 4.767623 0.025788 -1.201560
H 6.032711 0.663785 -2.274487
H -2.212580 -3.638851 2.133557
H -1.838934 -3.434677 -2.183841
H 6.675825 2.342082 -0.410319
H 5.030723 2.569104 -1.087335
H 7.807490 0.013009 -0.615216
H 6.560431 -0.577674 0.503741
H -5.549667 3.282033 -2.372097
H -7.137314 2.891520 -1.624158
H -6.003021 3.980676 -0.775704
H -6.765414 0.506837 -1.638431
H -5.133726 0.642205 -2.389213
H -5.351465 -0.203089 -0.817135
H -1.450253 -5.819016 -0.065666
H -3.039153 -5.534111 0.685518
H -2.860634 -5.458234 -1.091386
H 5.853886 -2.333564 -1.198786
H 7.586955 -2.499673 -0.796048
H 7.095426 -1.735930 -2.335337


