%chk=000227388.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227388

0 1
 S   0.2590000      -3.102400      9.1600001E-02
 O    1.674200      0.3389000       1.434100    
 N  -4.8500001E-02 -0.4724000     -0.5383000    
 N   -1.918200      -1.482200      0.1069000    
 C    1.338900     -0.2491000     -0.8781000    
 C   -2.165000     -0.1683000     -0.1883000    
 C   -1.025700      0.4812000     -0.5902000    
 C  -0.6314000      -1.634200     -0.1146000    
 C   -3.459900      0.4437000     -8.7499999E-02
 C    2.164000      0.1892000      0.3170000    
 C    3.620600      0.4473000      0.1202000    
 C   -3.568100       1.801700      0.2128000    
 C   -4.609800     -0.3195000     -0.2898000    
 C    4.156400      0.2776000      -1.136000    
 C    4.371900      0.8457000       1.202400    
 C   -4.826000       2.396300      0.3110000    
 C   -5.867800      0.2753000     -0.1917000    
 C   -5.975800       1.633200      0.1087000    
 C    5.517900      0.5191000      -1.320200    
 C    5.733300       1.087200       1.018200    
 C    6.306200      0.9239000     -0.2431000    
 C   -1.046100      -4.232200      0.6548000    
 H    1.740000      -1.167400      -1.315000    
 H    1.353900      0.5420000      -1.636700    
 H  -0.8204000       1.496100     -0.9040000    
 H   -2.693500       2.423000      0.3887000    
 H   -4.549600      -1.378600     -0.5285000    
 H    3.582600     -3.2900002E-02  -2.001300    
 H    3.946000      0.9787000       2.192000    
 H   -4.910800       3.452900      0.5477000    
 H   -6.763300     -0.3185000     -0.3498000    
 H   -6.955200       2.096000      0.1857000    
 H    5.964500      0.3928000      -2.302100    
 H    6.347500       1.402500       1.856600    
 H    7.366200       1.112200     -0.3865000    
 H   -1.828600      -4.322000     -0.1037000    
 H   -1.483300      -3.875600       1.591400    
 H  -0.6132000      -5.221100      0.8271000    


%chk=000227388-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227388

0 1
S 0.281153 -3.160046 0.048417
O 1.663970 0.657945 1.436762
N -0.010885 -0.423703 -0.512373
N -1.946095 -1.428853 0.106145
C 1.401253 -0.246044 -0.820836
C -2.196404 -0.056118 -0.144446
C -1.001421 0.571139 -0.514427
C -0.638220 -1.608168 -0.113976
C -3.545087 0.515444 -0.004913
C 2.227304 0.328957 0.359075
C 3.704090 0.491359 0.153284
C -3.802713 1.891415 -0.257562
C -4.626896 -0.317878 0.391102
C 4.357173 0.134549 -1.058942
C 4.472417 1.026185 1.224196
C -5.103422 2.417532 -0.118609
C -5.927466 0.210168 0.528674
C -6.174746 1.580130 0.274834
C 5.750353 0.311280 -1.194549
C 5.862721 1.200911 1.087197
C 6.505315 0.844001 -0.123548
C -1.189250 -4.338057 0.034424
H 1.818985 -1.226542 -1.120834
H 1.506708 0.427831 -1.692740
H -0.763272 1.604438 -0.748679
H -2.984506 2.555054 -0.561639
H -4.420697 -1.374720 0.586940
H 3.792525 -0.282064 -1.899971
H 3.951403 1.293193 2.149703
H -5.283344 3.480596 -0.316082
H -6.750096 -0.446019 0.835686
H -7.185187 1.990109 0.382786
H 6.247932 0.034104 -2.130001
H 6.447334 1.612032 1.917034
H 7.587251 0.979184 -0.231032
H -1.689759 -4.293316 -0.943060
H -1.884148 -4.037472 0.829896
H -0.771371 -5.338457 0.223563


