%chk=000062874.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062874

0 1
 S   -4.781800     -0.6740000      0.6174000    
 N    4.654700      0.4385000     -0.6308000    
 N    1.806500      0.9024000     -0.4193000    
 N   -1.769100      2.1500001E-02  0.2914000    
 C    3.919500      0.1015000      0.6031000    
 C    2.447200     -0.2190000      0.2800000    
 C    4.570200      -1.102400       1.304700    
 C    4.004500       1.552000      -1.333300    
 C    6.061700      0.7560000     -0.3512000    
 C    6.046000     -0.8474000       1.592300    
 C    2.541800       1.224800      -1.647100    
 C    6.769800     -0.4197000      0.3216000    
 C   0.4084000      0.5972000     -0.7174000    
 C  -0.3541000      0.3030000      0.5660000    
 C   -2.124400      -1.321400      7.3000002E-03
 C   -2.661000       1.123600      0.2654000    
 C   -3.462700      -1.752800      9.6500002E-02
 C   -4.052500      0.9343000      0.3799000    
 C   -1.170100      -2.275000     -0.4101000    
 C   -2.206900       2.449100      8.9500003E-02
 C   -3.810600      -3.084200     -0.1932000    
 C   -4.933200       2.030200      0.3457000    
 C   -1.522200      -3.595500     -0.7020000    
 C   -3.087000       3.534100      5.0999999E-02
 C   -2.843300      -4.001500     -0.5900000    
 C   -4.451300       3.324700      0.1826000    
 H    3.946700      0.9593000       1.291900    
 H    2.377800      -1.141700     -0.3124000    
 H    1.981100     -0.4074000       1.250700    
 H    4.475000      -1.999900      0.6793000    
 H    4.050400      -1.315300       2.246500    
 H    4.523100       1.745600      -2.280200    
 H    4.057200       2.473800     -0.7382000    
 H    6.142100       1.647200      0.2852000    
 H    6.585500      0.9777000      -1.289000    
 H    6.510200      -1.750500       2.003400    
 H    6.141000     -6.1299998E-02   2.351400    
 H    2.091000       2.099300      -2.131900    
 H    2.495200      0.3936000      -2.363800    
 H    7.802700     -0.1423000      0.5602000    
 H    6.818700      -1.266700     -0.3744000    
 H   0.3441000     -0.2306000      -1.431600    
 H  -3.2099999E-02   1.449300      -1.244000    
 H  -0.2524000       1.135900       1.276100    
 H   4.4900000E-02 -0.5486000       1.125200    
 H  -0.1153000      -2.042300     -0.5026000    
 H   -1.155000       2.697200     -1.3000000E-03
 H   -4.842200      -3.421300     -0.1127000    
 H   -6.007100       1.886000      0.4461000    
 H  -0.7592000      -4.304200      -1.011100    
 H   -2.700700       4.541100     -7.6800004E-02
 H   -3.121500      -5.027100     -0.8122000    
 H   -5.139000       4.164300      0.1570000    


%chk=000062874-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000062874

0 1
S -4.735604 -0.126433 1.010255
N 4.503268 0.840049 -0.606363
N 1.724787 -0.003842 -0.512099
N -1.743731 -0.675793 0.388075
C 3.913906 0.323701 0.661758
C 2.761404 -0.646310 0.335769
C 4.993828 -0.386924 1.507815
C 3.465804 1.475522 -1.454495
C 5.641722 1.762592 -0.363836
C 6.205416 0.533066 1.775573
C 2.337657 0.484336 -1.773809
C 6.760602 1.073175 0.438793
C 0.555640 -0.884972 -0.744900
C -0.319991 -1.042030 0.543287
C -2.644147 -1.655144 -0.125540
C -2.090692 0.710201 0.445136
C -4.053953 -1.512854 0.022506
C -3.439126 1.120840 0.644234
C -2.167329 -2.816828 -0.795894
C -1.096769 1.721790 0.314561
C -4.943817 -2.474407 -0.494067
C -3.790940 2.484053 0.672528
C -3.058096 -3.801992 -1.274785
C -1.448729 3.087896 0.388049
C -4.452013 -3.635948 -1.133900
C -2.793894 3.480316 0.555110
H 3.487854 1.173659 1.260048
H 3.191291 -1.546866 -0.173744
H 2.301157 -0.979766 1.284143
H 5.332533 -1.289359 0.960633
H 4.542494 -0.723077 2.461913
H 3.938938 1.809788 -2.397217
H 3.020084 2.374348 -0.955366
H 5.305831 2.679199 0.191664
H 6.025217 2.097700 -1.346497
H 6.989285 -0.015129 2.331443
H 5.891418 1.384770 2.413823
H 1.557444 0.989004 -2.373923
H 2.756160 -0.357270 -2.379809
H 7.583441 1.791766 0.617063
H 7.168002 0.236214 -0.160619
H 0.873599 -1.889946 -1.122050
H -0.064503 -0.427842 -1.537667
H 0.101891 -0.389086 1.326955
H -0.285838 -2.078769 0.920180
H -1.094438 -2.952810 -0.955881
H -0.046677 1.446737 0.156275
H -6.022063 -2.321903 -0.375513
H -4.841287 2.763019 0.809620
H -2.655680 -4.691157 -1.772349
H -0.661561 3.845058 0.299682
H -5.148375 -4.390310 -1.513478
H -3.069121 4.539067 0.597706


