%chk=000103558.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103558

1 1
 S   -2.980900      -1.983400     -0.1923000    
 O    1.961500      -1.056900      5.5000000E-02
 N    2.730500       1.080000      0.1236000    
 N   -4.505500      0.2000000     -0.1701000    
 C    3.820100      0.2366000      0.1270000    
 C    1.704100      0.2770000      8.1699997E-02
 C    2.753600       2.513000      0.1556000    
 C    3.345800      -1.076300      8.4799998E-02
 C   -4.940600       1.584300     -8.8299997E-02
 C   -3.168200     -0.2105000     -0.1329000    
 C   -5.359800     -0.9118000     -0.2040000    
 C    5.186100      0.5063000      0.1632000    
 C   0.3636000      0.7837000      6.4400002E-02
 C    4.177500      -2.188300      7.5999998E-02
 C    2.790500       3.048800      -1.261800    
 C   -2.066200      0.5508000     -4.9899999E-02
 C  -0.7285000      6.6999998E-03 -1.8900000E-02
 C   -4.727800      -2.102600     -0.2227000    
 C    6.045400     -0.6022000      0.1552000    
 C    5.551900      -1.916200      0.1125000    
 C   -5.107300       2.029500       1.350000    
 C   -6.845900     -0.7685000     -0.2080000    
 H    1.905700       2.919200      0.7140000    
 H    3.646200       2.847900      0.6967000    
 H   -5.890500       1.719400     -0.6188000    
 H   -4.234500       2.247300     -0.6017000    
 H    5.585300       1.513600      0.1936000    
 H   0.2133000       1.858200      9.9699996E-02
 H    3.793100      -3.199900      4.3000001E-02
 H    3.668000       2.678900      -1.802100    
 H    2.832300       4.142300      -1.253600    
 H    1.901700       2.746500      -1.824600    
 H   -2.153700       1.632500     -1.5000000E-03
 H   -5.221900      -3.064500     -0.2472000    
 H  -0.5699000      -1.064400     -6.5399997E-02
 H    7.120500     -0.4400000      0.1818000    
 H   -5.841200       1.413400       1.878900    
 H   -4.162100       1.962800       1.898500    
 H   -5.447400       3.069100       1.388800    
 H    6.255600      -2.745700      0.1076000    
 H   -7.344500      -1.743900     -0.2134000    
 H   -7.178600     -0.2257000      -1.098300    
 H   -7.189000     -0.2310000      0.6810000    


%chk=000103558-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103558

1 1
S -3.110887 -2.162717 -0.068559
O 1.924000 -0.892588 0.038239
N 2.825838 1.187382 0.145262
N -4.577196 0.015399 -0.134907
C 3.911804 0.272968 0.125240
C 1.637880 0.481237 0.078274
C 2.952272 2.661902 0.165099
C 3.345613 -1.021415 0.067010
C -4.997142 1.445822 -0.106660
C -3.243758 -0.357776 -0.074215
C -5.515598 -1.056292 -0.164486
C 5.306468 0.447735 0.160628
C 0.318693 0.957256 0.052191
C 4.098056 -2.194983 0.043566
C 3.024751 3.270366 -1.249901
C -2.135595 0.518180 -0.023815
C -0.796158 0.093326 0.004855
C -4.908095 -2.284474 -0.138337
C 6.092765 -0.730076 0.137956
C 5.505623 -2.021704 0.081014
C -5.041581 2.024674 1.321788
C -6.996008 -0.803537 -0.235375
H 2.097878 3.072254 0.730833
H 3.861254 2.903143 0.742759
H -5.990071 1.508083 -0.578592
H -4.305483 2.018078 -0.748588
H 5.773293 1.435748 0.201453
H 0.172125 2.041551 0.064931
H 3.633420 -3.182554 -0.000677
H 3.889003 2.876804 -1.811643
H 3.135345 4.366195 -1.176634
H 2.110185 3.055255 -1.829211
H -2.338691 1.594832 -0.004396
H -5.377607 -3.263751 -0.157351
H -0.582255 -0.985376 -0.011466
H 7.182966 -0.640850 0.163541
H -5.764757 1.480481 1.953164
H -4.055067 1.975337 1.813386
H -5.354247 3.082658 1.281458
H 6.151025 -2.904728 0.064528
H -7.535752 -1.761835 -0.187697
H -7.284648 -0.308118 -1.180766
H -7.351363 -0.177896 0.603199


