%chk=000126688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126688

0 1
 S  -0.7432000       1.481100      0.3078000    
 N   -1.832100     -0.8092000     -0.1937000    
 N    3.962400      0.5261000     -0.2430000    
 N   -3.299100       1.042900     -0.2833000    
 C    1.694200      0.2153000      0.6722000    
 C   0.2348000      8.7300003E-02  0.3486000    
 C    2.546700      0.4278000     -0.5813000    
 C  -0.4928000      -1.030200      6.2399998E-02
 C   6.2000002E-03  -2.419500      2.9000000E-03
 C   -2.077100      0.4784000     -9.2600003E-02
 H    1.852400       1.042400       1.377100    
 H    2.025200     -0.6917000       1.194900    
 H    2.243100       1.342500      -1.102700    
 H    2.407300     -0.4004000      -1.285200    
 H  -0.7825000      -3.109600     -0.3135000    
 H   0.8319000      -2.505600     -0.7104000    
 H   0.3613000      -2.743500      0.9863000    
 H    4.255900     -0.3194000      0.2452000    
 H    4.103300       1.291400      0.4157000    
 H   -3.445400       2.043100     -0.1960000    
 H   -4.113500      0.4864000     -0.5216000    


%chk=000126688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126688

0 1
S -0.675064 1.563137 0.227234
N -1.899835 -0.799685 -0.096343
N 4.049959 0.703977 -0.366667
N -3.376348 1.068996 -0.348079
C 1.770660 0.083323 0.638007
C 0.290885 0.004442 0.383555
C 2.599385 0.610040 -0.586752
C -0.541832 -1.085930 0.173537
C -0.139128 -2.539149 0.209095
C -2.145058 0.498257 -0.107295
H 1.989547 0.735522 1.508031
H 2.141950 -0.925536 0.903688
H 2.221394 1.610356 -0.870385
H 2.412414 -0.051662 -1.452657
H -0.327784 -3.014326 -0.771036
H 0.926955 -2.667698 0.457460
H -0.742194 -3.084375 0.957464
H 4.525455 -0.193557 -0.237406
H 4.335433 1.397190 0.330823
H -3.516348 2.073825 -0.331720
H -4.161445 0.448453 -0.530755


