%chk=000116405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116405

0 1
 S    2.914300      -1.571900     -0.6915000    
 S   -3.853000      6.8499997E-02 -0.4069000    
 N   2.1900000E-02   1.152000      0.1591000    
 N    5.462600      -1.312500      0.5580000    
 N   -4.706200      -2.506300      0.4679000    
 C   0.6720000     -2.3000001E-03 -0.4602000    
 C   -1.373800       1.242700     -0.2682000    
 C   0.7393000       2.382100     -0.1736000    
 C    2.093700     -0.1417000      7.0000000E-02
 C   -2.117100     -2.9899999E-02  0.1184000    
 C   7.7200003E-02   3.592800      0.4620000    
 C    4.423900      -1.414300      5.1600002E-02
 C   -4.354600      -1.459200      0.1132000    
 H   0.6677000      8.1500001E-02  -1.555200    
 H   0.1784000     -0.9393000     -0.1910000    
 H   -1.441900       1.416900      -1.350600    
 H   -1.884600       2.068700      0.2383000    
 H    1.751000       2.374300      0.2404000    
 H   0.8217000       2.532400      -1.257400    
 H    2.093000     -0.2616000       1.159600    
 H    2.721800      0.7138000     -0.1875000    
 H   -2.072700     -0.1957000       1.200800    
 H   -1.733100     -0.9156000     -0.3911000    
 H  -0.8384000       3.891300     -5.7900000E-02
 H  -0.1493000       3.425700       1.520700    
 H   0.7561000       4.451700      0.4076000    


%chk=000116405-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116405

0 1
S 3.305426 -1.337740 -0.861914
S -3.806292 -0.256750 -0.432637
N 0.073586 1.253276 -0.451883
N 5.022651 -1.993932 1.430956
N -4.690369 -2.147520 1.636248
C 1.025384 0.305260 -1.065248
C -1.344149 1.060523 -0.815415
C 0.540818 2.662633 -0.374459
C 2.002022 -0.207464 0.010154
C -1.981613 0.034166 0.139360
C -0.019063 3.418112 0.845123
C 4.304884 -1.711768 0.511938
C -4.304378 -1.374892 0.803466
H 1.593162 0.769896 -1.904226
H 0.467104 -0.550232 -1.488519
H -1.465760 0.726662 -1.871484
H -1.875123 2.024414 -0.720043
H 1.644204 2.642956 -0.304251
H 0.293560 3.217876 -1.311010
H 1.487315 -0.812366 0.771089
H 2.560245 0.611888 0.488551
H -2.009598 0.409145 1.172940
H -1.476088 -0.943434 0.100109
H -1.122342 3.481233 0.820260
H 0.273198 2.910054 1.780363
H 0.371119 4.452104 0.867035


