%chk=000116522.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116522

0 1
 S    1.340700       1.728700     -0.3041000    
 N   0.3479000     -0.6750000      0.2548000    
 N    2.697000     -0.4096000      0.2160000    
 C   0.5149000      -2.080000      0.6621000    
 C  -0.9648000     -0.1757000      0.1229000    
 C    1.497100      7.7200003E-02  8.8100001E-02
 C   0.5286000      -3.003300     -0.5444000    
 C   -1.601700     -0.2079000      -1.117700    
 C   -1.625800      0.3505000       1.232800    
 C   -2.899700      0.2861000      -1.248200    
 C   -2.923900      0.8441000       1.102300    
 C   -3.560800      0.8119000     -0.1382000    
 C    3.052000       1.842100     -0.3112000    
 C    3.598400      0.6110000     -1.5200000E-02
 H    1.430900      -2.225900       1.248000    
 H  -0.3044000      -2.376700       1.330200    
 H  -0.4199000      -2.965800      -1.088900    
 H    1.328100      -2.733100      -1.241900    
 H   0.6902000      -4.038000     -0.2260000    
 H   -1.096900     -0.6119000      -1.991500    
 H   -1.140200      0.3804000       2.204900    
 H   -3.395300      0.2620000      -2.214300    
 H   -3.438600       1.253600       1.966400    
 H   -4.571400       1.196500     -0.2399000    
 H    3.559700       2.771700     -0.5249000    
 H    4.658000      0.4023000      4.5499999E-02


%chk=000116522-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116522

0 1
S 1.414588 1.894324 -0.411104
N 0.334100 -0.610510 0.405091
N 2.675369 -0.466096 -0.101979
C 0.536061 -1.993741 0.933471
C -1.002446 -0.121483 0.191279
C 1.458068 0.069713 -0.029877
C 0.583120 -3.052557 -0.186598
C -1.405718 0.364991 -1.080087
C -1.938927 -0.145518 1.257387
C -2.723438 0.831631 -1.273435
C -3.259443 0.307309 1.051354
C -3.658288 0.801803 -0.212490
C 3.202275 1.776378 -0.662074
C 3.643490 0.486875 -0.443930
H 1.484800 -1.997692 1.495790
H -0.290812 -2.207666 1.632286
H -0.350291 -3.049586 -0.777552
H 1.435657 -2.855298 -0.857199
H 0.710576 -4.059774 0.251610
H -0.691886 0.366122 -1.910006
H -1.625724 -0.493219 2.247665
H -3.023154 1.204760 -2.259001
H -3.972171 0.288780 1.883272
H -4.681880 1.158952 -0.367817
H 3.765177 2.653884 -0.970856
H 4.681001 0.162820 -0.537598


