%chk=000227342.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227342

0 1
 S   0.5283000       1.722500       1.102600    
 N  -0.8279000     -0.2714000     -0.8056000    
 N   -3.570900      -1.670200      0.9588000    
 C   -1.605300      -1.420000      -1.288500    
 C   0.5733000     -0.4408000     -0.6550000    
 C   -1.602000      -2.539500     -0.2502000    
 C   -1.523600      0.9461000     -0.6139000    
 C    1.346300      0.4256000      0.1568000    
 C   -2.172800      -2.130600       1.105700    
 C  -0.9886000       1.953900      0.2062000    
 C    2.770100      0.2636000      0.2875000    
 C    1.258600      -1.456200      -1.346000    
 C    3.400000     -0.7838000     -0.4261000    
 C    2.637100      -1.626800      -1.232900    
 C   -2.750800       1.220100      -1.254600    
 C   -1.668500       3.170100      0.3891000    
 C    3.615100       1.080800       1.086100    
 C    4.788400     -0.9849000     -0.3341000    
 C   -3.421500       2.432800      -1.075000    
 C   -2.880600       3.408100     -0.2505000    
 C   -4.376000      -2.720400      0.3499000    
 C   -4.104400      -1.287300       2.259100    
 C    4.994300      0.8712000       1.170800    
 C    5.581400     -0.1629000      0.4598000    
 H   -1.228900      -1.776700      -2.254000    
 H   -2.653400      -1.209500      -1.498900    
 H  -0.5815000      -2.896900     -7.1000002E-02
 H   -2.115100      -3.417700     -0.6588000    
 H   -1.562300      -1.334200       1.546900    
 H   -2.116600      -2.987900       1.789700    
 H   0.7527000      -2.146500      -2.014100    
 H    3.106400      -2.432700      -1.794600    
 H   -3.208600      0.5409000      -1.966200    
 H   -1.260500       3.945400       1.034400    
 H    3.213600       1.909200       1.665000    
 H    5.267900      -1.791800     -0.8855000    
 H   -4.358900       2.616100      -1.592300    
 H   -3.397300       4.352200     -0.1078000    
 H   -5.438300      -2.447500      0.3814000    
 H   -4.159000      -2.856400     -0.7135000    
 H   -4.272200      -3.683300      0.8641000    
 H   -5.123900     -0.8982000       2.158700    
 H   -3.507000     -0.4811000       2.699500    
 H   -4.125300      -2.125800       2.964900    
 H    5.603800       1.519800       1.793200    
 H    6.652200     -0.3309000      0.5209000    


%chk=000227342-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227342

0 1
S 0.319134 1.417982 1.446237
N -0.914891 -0.261846 -0.767098
N -3.616438 -2.045005 1.023497
C -1.737544 -1.390272 -1.269222
C 0.500107 -0.417786 -0.652537
C -1.612369 -2.648381 -0.379700
C -1.488736 1.042127 -0.671059
C 1.243752 0.336611 0.274100
C -2.175224 -2.399063 1.037666
C -0.976374 1.977832 0.268745
C 2.672515 0.236965 0.362097
C 1.201611 -1.334905 -1.509961
C 3.355006 -0.716772 -0.493746
C 2.581957 -1.489281 -1.418773
C -2.557455 1.459308 -1.510333
C -1.492852 3.284188 0.362976
C 3.457111 1.014017 1.280025
C 4.776844 -0.859024 -0.391974
C -3.107228 2.753685 -1.387084
C -2.578188 3.674893 -0.455621
C -4.497077 -3.210601 0.811607
C -4.023425 -1.252086 2.202068
C 4.842702 0.853225 1.353398
C 5.512619 -0.093194 0.515003
H -1.505042 -1.630471 -2.328120
H -2.792668 -1.075961 -1.212716
H -0.558216 -2.971401 -0.292833
H -2.157823 -3.474297 -0.877547
H -1.620287 -1.552816 1.483807
H -1.976364 -3.295647 1.677882
H 0.638373 -1.914802 -2.246583
H 3.094934 -2.204779 -2.072034
H -2.953887 0.776510 -2.267544
H -1.059987 3.983212 1.086478
H 2.954536 1.749831 1.916856
H 5.280762 -1.582835 -1.043899
H -3.940439 3.046086 -2.035591
H -2.996731 4.682605 -0.367607
H -5.545611 -2.873472 0.722539
H -4.231436 -3.730758 -0.125396
H -4.443059 -3.957358 1.645346
H -5.076807 -0.936273 2.090978
H -3.399633 -0.343742 2.269606
H -3.932950 -1.811134 3.167929
H 5.424922 1.460160 2.055640
H 6.599653 -0.208773 0.584495


