%chk=000034446.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034446

0 1
 S    1.556500       2.942700     -0.5290000    
 S  -0.5031000       3.019600     -0.5390000    
 S    1.349500       2.619800       2.465600    
 S  -0.3796000       1.165400      -2.918500    
 N    3.364400      -1.660200     -4.9400002E-02
 N   -3.705300      -1.042900      0.3124000    
 N    2.539500      0.9292000      0.7957000    
 N   -1.654500      0.6874000     -0.6361000    
 C    3.448900     -0.5169000     -0.9728000    
 C    2.218300      -1.507600      0.8618000    
 C   -3.932400      0.4101000      0.2468000    
 C   -2.811300      -1.477800     -0.7734000    
 C    3.591400      0.7953000     -0.2018000    
 C    2.334600     -0.2157000       1.670900    
 C   -2.611200       1.172500      0.3478000    
 C   -1.466700     -0.7551000     -0.6930000    
 C    3.263900      -2.914500     -0.7944000    
 C   -4.975900      -1.764100      0.2500000    
 C    1.865100       2.091900      0.9708000    
 C  -0.9022000       1.535400      -1.379300    
 C    3.280200      -4.111600      0.1410000    
 C   -5.870300      -1.402900       1.423800    
 H    2.558500     -0.4722000      -1.613400    
 H    4.321800     -0.6291000      -1.626900    
 H    2.168000      -2.322600       1.590400    
 H    1.281000      -1.507000      0.2943000    
 H   -4.553100      0.7605000       1.077300    
 H   -4.441700      0.6782000     -0.6885000    
 H   -3.272000      -1.287400      -1.751800    
 H   -2.628200      -2.556400     -0.6980000    
 H    4.536700      0.7805000      0.3584000    
 H    3.684400       1.633700     -0.8943000    
 H    3.192100     -0.2670000       2.353400    
 H    1.427800     -0.1134000       2.274700    
 H   -2.844100       2.233400      0.2171000    
 H   -2.165000       1.036700       1.340900    
 H  -0.9658000      -1.034200      0.2425000    
 H  -0.8105000      -1.084500      -1.501500    
 H    4.128300      -3.004000      -1.464000    
 H    2.363900      -2.946000      -1.421300    
 H   -4.779000      -2.842200      0.3016000    
 H   -5.506300      -1.576500     -0.6921000    
 H    2.332000      -4.241700      0.6713000    
 H    4.091300      -4.042800      0.8740000    
 H    3.441700      -5.026800     -0.4395000    
 H   -5.329300      -1.448300       2.375200    
 H   -6.320500     -0.4113000       1.318000    
 H   -6.698900      -2.117500       1.485300    


%chk=000034446-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034446

0 1
S 1.099888 1.434545 -1.011306
S -1.081842 1.739531 -0.730355
S 0.444693 0.022150 1.754543
S -1.126569 -0.606781 -2.823733
N 5.216104 -1.484109 0.105729
N -5.668315 -0.386973 0.067877
N 2.921935 0.213101 0.606724
N -2.890401 -0.309232 -0.743623
C 4.564015 -0.733033 -0.994354
C 4.219898 -1.832784 1.150207
C -4.748759 0.646929 0.602341
C -5.249738 -0.803913 -1.293351
C 3.907415 0.553784 -0.453530
C 3.551899 -0.561723 1.707888
C -3.304628 0.113946 0.622496
C -3.805777 -1.342837 -1.292847
C 5.978957 -2.654930 -0.404397
C -7.100827 0.007967 0.110538
C 1.579650 0.476194 0.576246
C -1.784869 0.106437 -1.435209
C 6.877381 -3.307758 0.661170
C -7.644257 0.177152 1.540948
H 3.784109 -1.340167 -1.519673
H 5.332974 -0.452133 -1.737849
H 4.729707 -2.346382 1.983340
H 3.427592 -2.518403 0.755755
H -5.041435 0.893633 1.637500
H -4.786214 1.591466 0.000079
H -5.315571 0.038368 -2.028846
H -5.924861 -1.607723 -1.641440
H 4.683187 1.205363 -0.007722
H 3.423720 1.102100 -1.277951
H 4.317638 0.080021 2.184598
H 2.772163 -0.812984 2.443392
H -2.598330 0.860340 1.014602
H -3.258460 -0.782044 1.271218
H -3.738956 -2.245192 -0.655153
H -3.471025 -1.598221 -2.310556
H 6.615845 -2.288029 -1.232229
H 5.294997 -3.427080 -0.842467
H -7.670958 -0.795460 -0.394431
H -7.282722 0.947533 -0.473189
H 6.293719 -3.803160 1.457354
H 7.530483 -2.549775 1.128299
H 7.515427 -4.079443 0.193686
H -7.432188 -0.726278 2.139358
H -7.205284 1.048661 2.058517
H -8.738509 0.329427 1.512805


