%chk=000121571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121571

0 1
 S    4.480200       1.346200     -0.6444000    
 N    1.081800     -2.4499999E-02  0.2829000    
 C  -0.2874000      7.7999998E-03 -0.2397000    
 C   -1.285000     -1.3200000E-02  0.9328000    
 C  -0.4693000      -1.179400      -1.185600    
 C   -2.729500      5.8300000E-02  0.4991000    
 C    2.045800      5.6800000E-02 -0.8018000    
 C    3.460400      2.8500000E-02 -0.2996000    
 C   -3.336900       1.296300      0.3621000    
 C   -3.421500      -1.115400      0.2462000    
 C    4.069000     -0.9522000      0.4272000    
 C   -4.671500       1.362400     -3.8199998E-02
 C   -4.756100      -1.049300     -0.1542000    
 C   -5.381000      0.1896000     -0.2963000    
 C    5.423400     -0.6178000      0.7167000    
 C    5.777600      0.6058000      0.1926000    
 H  -0.4445000      0.9354000     -0.8065000    
 H   -1.078700      0.8253000       1.612500    
 H   -1.137200     -0.9180000       1.539200    
 H    1.215300      0.7623000      0.9184000    
 H   -1.499700      -1.255800      -1.542600    
 H  -0.2148000      -2.129400     -0.7019000    
 H   0.1144000      -1.086100      -2.106300    
 H    1.864700      0.9546000      -1.406400    
 H    1.986000     -0.8067000      -1.472500    
 H   -2.791900       2.215100      0.5586000    
 H   -2.948300      -2.086300      0.3611000    
 H    3.585300      -1.868000      0.7421000    
 H   -5.158000       2.327000     -0.1494000    
 H   -5.309200      -1.962500     -0.3536000    
 H   -6.420200      0.2410000     -0.6077000    
 H    6.103500      -1.243200       1.280300    
 H    6.736300       1.100300      0.2612000    


%chk=000121571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121571

0 1
S 4.849859 1.263655 -0.884904
N 1.105333 -0.099473 0.051344
C -0.300412 -0.081365 -0.433626
C -1.222983 -0.255327 0.810179
C -0.540601 -1.192875 -1.475866
C -2.702569 -0.085293 0.503509
C 2.142347 0.269368 -0.937626
C 3.514497 0.181548 -0.312255
C -3.245653 1.204629 0.262666
C -3.571611 -1.204208 0.435051
C 3.967946 -0.667660 0.686118
C -4.614846 1.371933 -0.040972
C -4.943386 -1.042936 0.132015
C -5.469960 0.246737 -0.108431
C 5.364327 -0.492166 1.015997
C 5.989868 0.493141 0.271367
H -0.553885 0.901506 -0.908718
H -0.915804 0.494127 1.569853
H -1.023311 -1.253887 1.241785
H 1.212280 0.464790 0.907084
H -1.606508 -1.227053 -1.760296
H -0.250503 -2.171881 -1.052736
H 0.044346 -1.027022 -2.398137
H 1.991708 1.289578 -1.374192
H 2.078202 -0.439250 -1.786366
H -2.591550 2.084010 0.323242
H -3.169948 -2.207334 0.624427
H 3.308429 -1.397867 1.159476
H -5.016378 2.375996 -0.220015
H -5.599010 -1.920095 0.086603
H -6.533113 0.374708 -0.341038
H 5.882927 -1.079298 1.778148
H 7.022959 0.834162 0.302617


