%chk=000227023.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227023

0 1
 S   -3.623900       1.871700     -0.5914000    
 O   -4.747200       2.592300     -2.4000000E-02
 O   -3.330800       1.967400      -2.008600    
 N    5.063300     -0.6460000     -0.1320000    
 N   -2.214900       2.239300      0.2918000    
 N   -1.023200       1.489100     -6.4900003E-02
 N   -4.398800      -3.872600      0.7335000    
 C    3.809200     -2.7600000E-02  5.3500000E-02
 C    5.219500      -1.712600      -1.100800    
 C    6.208800     -0.2324000      0.6539000    
 C    3.665300      0.9888000      0.9978000    
 C    2.712500     -0.4337000     -0.7066000    
 C    4.754900      -3.042800     -0.5327000    
 C    6.847900       1.018900      7.6200001E-02
 C    1.327900       1.193100      0.4218000    
 C    2.424600       1.599100       1.182100    
 C    1.471800      0.1766000     -0.5225000    
 C   -3.854300      0.1634000     -0.1970000    
 C   3.4000002E-02   1.828600      0.6148000    
 C   -4.619200     -0.1782000      0.9044000    
 C   -3.265100     -0.7993000     -0.9975000    
 C   -4.214700      -2.510200      0.4197000    
 C   -4.800900      -1.525800       1.215300    
 C   -3.446900      -2.147000     -0.6868000    
 H    4.733100      -1.489200      -2.057100    
 H    6.281100      -1.815000      -1.362900    
 H    5.968900     -0.1102000       1.716300    
 H    6.966000      -1.027800      0.6438000    
 H    4.475800       1.349600       1.620900    
 H    2.756900      -1.216300      -1.455700    
 H    5.315800      -3.295800      0.3737000    
 H    3.693100      -3.041300     -0.2715000    
 H    4.919100      -3.841600      -1.263000    
 H    7.166000      0.8502000     -0.9585000    
 H    6.170100       1.877000      7.4699998E-02
 H    7.733100       1.292400      0.6593000    
 H    2.326900       2.389500       1.922000    
 H   0.6343000     -0.1601000      -1.128000    
 H  -2.5100000E-02   2.627100       1.376800    
 H   -5.077100      0.5730000       1.540400    
 H   -2.659200     -0.5365000      -1.859000    
 H   -2.276400       2.633600       1.238100    
 H   -5.400000      -1.796200       2.081200    
 H   -2.983700      -2.904700      -1.313700    
 H   -4.954600      -4.136600       1.536000    
 H   -3.973300      -4.586700      0.1576000    


%chk=000227023-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227023

0 1
S -3.522438 1.792642 -0.211294
O -4.685871 2.759774 0.400866
O -2.877755 2.053380 -1.689000
N 5.268308 -0.549935 -0.151515
N -2.134053 1.852833 1.231934
N -0.964952 1.253386 0.816024
N -5.368813 -3.961184 0.016982
C 4.032229 0.021210 0.162155
C 5.372352 -1.815164 -0.907767
C 6.540752 0.088983 0.243271
C 3.937700 1.303811 0.798061
C 2.797785 -0.655195 -0.134754
C 5.322005 -3.076027 -0.012614
C 7.047419 1.138056 -0.774566
C 1.470864 1.200291 0.796464
C 2.690805 1.865286 1.108585
C 1.560795 -0.079262 0.171477
C -4.073838 0.023661 -0.126850
C 0.196957 1.830976 1.103494
C -5.024541 -0.341393 0.843801
C -3.537927 -0.892255 -1.049817
C -4.938099 -2.639891 -0.030114
C -5.458450 -1.676722 0.888665
C -3.975559 -2.226602 -1.001552
H 4.575678 -1.855221 -1.672808
H 6.329220 -1.796950 -1.462936
H 6.428969 0.546630 1.243335
H 7.297919 -0.709972 0.355420
H 4.840274 1.871978 1.038625
H 2.811033 -1.647292 -0.594601
H 6.147007 -3.068272 0.722508
H 4.371847 -3.129269 0.546570
H 5.417418 -3.991124 -0.626227
H 7.217966 0.675283 -1.763447
H 6.313639 1.951980 -0.905313
H 8.001913 1.579793 -0.432998
H 2.657484 2.850557 1.591425
H 0.630921 -0.610265 -0.057299
H 0.234032 2.809065 1.628300
H -5.424831 0.409537 1.532241
H -2.810827 -0.555567 -1.795373
H -2.080059 2.884142 1.449076
H -6.202602 -1.981745 1.633469
H -3.575158 -2.956828 -1.714382
H -6.057726 -4.261781 0.700404
H -5.009192 -4.650835 -0.636528


