%chk=000012909.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012909

0 1
 S  -0.1198000      -3.922900      0.7222000    
 N   6.2600002E-02  0.4761000     -1.9999999E-04
 N    1.176200      -1.623300      0.3320000    
 N   -1.221200      -1.522300      0.3406000    
 C   -2.304800      0.5580000      1.1300000E-02
 C    2.428300      0.3586000     -6.6999998E-03
 C   -1.082300     -0.2079000      0.1237000    
 C    1.153500     -0.2983000      0.1150000    
 C   -2.328300       1.896000      0.4048000    
 C   -3.459700     -4.1800000E-02 -0.4906000    
 C    2.573900       1.693500      0.3846000    
 C    3.531700     -0.3328000     -0.5172000    
 C  -4.7100000E-02  -2.167300      0.4338000    
 C   -3.506900       2.634300      0.2962000    
 C   -4.638300      0.6964000     -0.5992000    
 C    3.809400       2.330100      0.2667000    
 C    4.767300      0.3037000     -0.6350000    
 C   -4.661700       2.034600     -0.2057000    
 C    4.906100       1.635200     -0.2430000    
 C   -1.038800      -4.500000     -0.7333000    
 H   -1.447600       2.389400      0.8088000    
 H   -3.471200      -1.079700     -0.8147000    
 H    1.741000       2.260300      0.7945000    
 H    3.454700      -1.368300     -0.8405000    
 H   -3.526100       3.675600      0.6044000    
 H   -5.537300      0.2304000     -0.9920000    
 H    3.918300       3.366200      0.5738000    
 H    5.621100     -0.2364000      -1.033800    
 H   -5.579300       2.609300     -0.2903000    
 H    5.868100       2.130800     -0.3347000    
 H   -1.117000      -5.589700     -0.7017000    
 H  -0.5167000      -4.210700      -1.649300    
 H   -2.046600      -4.076200     -0.7410000    


%chk=000012909-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012909

0 1
S 0.202677 -4.056311 -0.591921
N 0.161464 0.440030 -0.084890
N 1.358313 -1.654352 -0.305748
N -1.068585 -1.632129 -0.336609
C -2.288301 0.483717 -0.115205
C 2.615703 0.430419 -0.053768
C -1.009709 -0.263914 -0.181116
C 1.324832 -0.290184 -0.151893
C -2.282985 1.895482 0.046498
C -3.527515 -0.204516 -0.213262
C 2.638595 1.842151 0.106829
C 3.839837 -0.288482 -0.120467
C 0.138576 -2.258545 -0.390424
C -3.498757 2.605859 0.108774
C -4.741245 0.509241 -0.150548
C 3.869086 2.523521 0.198893
C 5.067683 0.397049 -0.027964
C -4.731122 1.915924 0.010606
C 5.086573 1.803958 0.131844
C -1.631418 -4.467752 -0.664607
H -1.319590 2.408079 0.120398
H -3.513151 -1.291305 -0.337303
H 1.686273 2.377916 0.156291
H 3.801206 -1.374750 -0.244106
H -3.489296 3.694178 0.233293
H -5.694108 -0.025918 -0.226661
H 3.882708 3.611968 0.322347
H 6.008974 -0.160849 -0.079830
H -5.675627 2.469587 0.059228
H 6.042447 2.335252 0.203593
H -1.678976 -5.561058 -0.786849
H -2.093185 -3.957151 -1.520855
H -2.119876 -4.156214 0.268934


