%chk=000096025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096025

0 1
 S   0.3670000      0.5483000      0.1635000    
 N    3.413000       1.864800      0.1410000    
 N    2.058000      -1.545500     -0.1015000    
 N    5.377900      0.8283000     -4.2100001E-02
 N    4.492700      -1.430100     -0.2034000    
 C   -2.196100     -0.4839000      0.1890000    
 C   -4.251300      0.1781000     -0.8705000    
 C   -4.866000      0.2564000      0.3794000    
 C  -0.7505000     -0.8853000      8.6700000E-02
 C   -2.910300     -0.1938000     -0.9660000    
 C   -2.798800     -0.4088000       1.437900    
 C   -4.139600     -3.7000000E-02   1.533500    
 C    3.121900      0.5346000      3.5500001E-02
 C    1.954600     -0.2032000      2.3300000E-02
 C   -5.008700      0.4896000      -2.119500    
 C   -6.300500      0.6529000      0.5064000    
 C    4.357800     -8.7899998E-02 -7.6899998E-02
 C    4.776200       1.991200      8.9599997E-02
 C    3.302700      -2.068700     -0.2057000    
 H  -0.5049000      -1.581800      0.8973000    
 H  -0.5851000      -1.425800     -0.8530000    
 H   -2.425500     -0.2554000      -1.937100    
 H   -2.242300     -0.6342000       2.343400    
 H   -4.602900      1.9500000E-02   2.515000    
 H   -5.368800       1.523400      -2.104500    
 H   -4.382900      0.3788000      -3.012000    
 H   -5.858600     -0.1907000      -2.235300    
 H   -6.626700      0.6649000       1.552300    
 H   -6.459100       1.660000      0.1074000    
 H   -6.944900     -5.5300001E-02 -2.4400000E-02
 H    2.747200       2.619800      0.2391000    
 H    5.262600       2.954200      0.1532000    
 H    3.349100      -3.147900     -0.3045000    


%chk=000096025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096025

0 1
S 0.374132 0.574313 0.143210
N 3.490203 1.927504 0.144299
N 2.125710 -1.561131 -0.098912
N 5.508936 0.848386 -0.016311
N 4.581011 -1.457245 -0.176043
C -2.199301 -0.534055 0.183591
C -4.317650 0.178456 -0.888796
C -4.939560 0.268553 0.396510
C -0.761215 -0.972103 0.061597
C -2.962431 -0.218742 -0.969713
C -2.823866 -0.438504 1.451679
C -4.174592 -0.042886 1.547673
C 3.190556 0.566892 0.041074
C 2.010304 -0.212219 0.017876
C -5.098151 0.497155 -2.151700
C -6.393282 0.684425 0.530155
C 4.463661 -0.098155 -0.058833
C 4.887402 2.033046 0.104219
C 3.389116 -2.108001 -0.188564
H -0.435527 -1.628254 0.882648
H -0.532966 -1.463405 -0.896113
H -2.487304 -0.287156 -1.957353
H -2.254085 -0.675699 2.358312
H -4.650384 0.022456 2.533932
H -5.479440 1.537065 -2.143294
H -4.472126 0.373116 -3.051590
H -5.983217 -0.159961 -2.259292
H -6.707698 0.700782 1.587554
H -6.569937 1.692446 0.106272
H -7.066059 -0.006389 -0.014778
H 2.822815 2.693704 0.231626
H 5.397485 2.992531 0.166622
H 3.424659 -3.197424 -0.280459


