%chk=000123246.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123246

0 1
 S    3.840900      -1.343400      7.6200001E-02
 N    1.126000     -0.9225000      3.7000000E-03
 N    2.323500      0.9498000     -1.9600000E-02
 N    1.003700       1.319400     -4.1800000E-02
 C   0.3440000      0.1983000     -1.3000000E-02
 C   -1.120900      0.1473000     -2.2000000E-03
 C    2.431500     -0.4503000      1.9200001E-02
 C   0.7007000      -2.319900     -4.8000000E-02
 C   -1.831200      9.6400000E-02  -1.204600    
 C   -1.814900      0.1494000       1.210700    
 C    3.345200       1.975800     -2.6400000E-02
 C   -3.225300      4.8099998E-02  -1.194100    
 C   -3.209000      0.1011000       1.221100    
 C   -3.914000      5.0500002E-02  1.8700000E-02
 H    1.128400      -2.783800     -0.9416000    
 H  -0.3868000      -2.406800     -7.5000003E-02
 H    1.088800      -2.837100      0.8341000    
 H   -1.304900      9.3400002E-02  -2.155700    
 H   -1.276000      0.1882000       2.154000    
 H    3.212900       2.595300     -0.9179000    
 H    4.346800       1.542500     -3.3900000E-02
 H    3.225400       2.593000      0.8683000    
 H   -3.774400      8.3999997E-03  -2.130300    
 H   -3.745400      0.1028000       2.165500    
 H   -4.999400      1.2700000E-02  2.6900001E-02


%chk=000123246-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123246

0 1
S 3.958730 -1.228113 0.489954
N 1.173676 -0.865683 0.335316
N 2.311751 0.899515 -0.301693
N 0.960390 1.249205 -0.445834
C 0.282462 0.152148 -0.046520
C -1.188602 0.095962 -0.051926
C 2.498933 -0.393608 0.178724
C 0.885930 -2.247488 0.732058
C -1.890671 0.901304 -0.992442
C -1.931713 -0.692051 0.868948
C 3.355983 1.861263 -0.634451
C -3.299045 0.904905 -1.018982
C -3.342704 -0.687692 0.835055
C -4.032572 0.105533 -0.109648
H 1.787053 -2.844864 0.510852
H 0.024240 -2.632658 0.164568
H 0.684428 -2.322199 1.815337
H -1.315700 1.516211 -1.691714
H -1.419491 -1.282525 1.634232
H 3.285634 2.146897 -1.697354
H 4.324692 1.373371 -0.441228
H 3.257606 2.763189 -0.007487
H -3.825616 1.527109 -1.750677
H -3.902160 -1.296113 1.553793
H -5.127635 0.104981 -0.134581


