%chk=000227337.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227337

0 1
 S   0.1222000      -2.696200       1.574300    
 N  -0.1330000     -0.4119000     -0.4838000    
 N   -2.322900       2.438900      0.5263000    
 C  -0.7151000      0.9369000     -0.5460000    
 C   -1.754700       1.097000      0.5558000    
 C    1.159600     -0.5386000      9.1399997E-02
 C   -1.076800      -1.460300     -0.6180000    
 C    2.269500      0.2793000     -0.3225000    
 C    1.377700      -1.526300       1.078400    
 C   -1.033400      -2.585600      0.2231000    
 C   -3.323300       2.598900       1.583300    
 C   -2.918200       2.718600     -0.7819000    
 C    3.506600      0.1673000      0.3670000    
 C    2.609500      -1.618500       1.732600    
 C   -2.071900      -1.418100      -1.615100    
 C    3.652200     -0.7652000       1.396000    
 C    2.245400       1.177200      -1.420600    
 C   -1.961200      -3.626800      6.4999998E-02
 C   -2.727100       2.313200       2.951200    
 C   -3.455400       4.138200     -0.8483000    
 C    4.603800      0.9706000      1.1400000E-02
 C   -2.989200      -2.458800      -1.770700    
 C   -2.932600      -3.564100     -0.9311000    
 C    3.345700       1.964400      -1.771400    
 C    4.522300       1.870000      -1.046400    
 H   -1.094500       1.087400      -1.558200    
 H   2.7300000E-02   1.725700     -0.3842000    
 H   -2.556800      0.3536000      0.4811000    
 H   -1.233600      0.9126000       1.502200    
 H   -4.197900       1.956100       1.421500    
 H   -3.676600       3.634400       1.625600    
 H   -3.711100       2.004400      -1.036700    
 H   -2.171500       2.687800      -1.578600    
 H    2.776100      -2.357400       2.513600    
 H   -2.137100     -0.5878000      -2.313000    
 H    4.595900     -0.8633000       1.929400    
 H    1.368500       1.258400      -2.058500    
 H   -1.942500      -4.495000      0.7204000    
 H   -3.414100       2.664000       3.729900    
 H   -1.775600       2.835800       3.098500    
 H   -2.579200       1.243400       3.128800    
 H   -3.679800       4.398100      -1.889200    
 H   -4.389500       4.258500     -0.2910000    
 H   -2.724800       4.867300     -0.4811000    
 H    5.545800      0.8911000      0.5514000    
 H   -3.742400      -2.406200      -2.551400    
 H   -3.645600      -4.374700      -1.047900    
 H    3.279600       2.641500      -2.618000    
 H    5.381000       2.478000      -1.313900    


%chk=000227337-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227337

0 1
S -0.340441 -2.648397 1.570781
N -0.216213 -0.360170 -0.464275
N -2.628232 2.393172 0.615328
C -0.845932 0.988228 -0.414777
C -1.925287 1.089864 0.695601
C 1.021771 -0.602674 0.211339
C -1.016916 -1.467904 -0.889544
C 2.205992 0.163224 -0.127013
C 1.133311 -1.626442 1.167619
C -1.116243 -2.643380 -0.096655
C -2.909456 3.008748 1.939048
C -3.812451 2.350007 -0.284273
C 3.419040 -0.037135 0.643336
C 2.346731 -1.868530 1.875261
C -1.717381 -1.428502 -2.123704
C 3.458630 -1.057987 1.648701
C 2.237702 1.096363 -1.216971
C -1.865013 -3.756718 -0.528744
C -1.648844 3.591323 2.605870
C -4.150671 3.717770 -0.907812
C 4.574580 0.759540 0.347962
C -2.505091 -2.523563 -2.539939
C -2.575883 -3.694413 -1.749758
C 3.386223 1.841872 -1.494178
C 4.560239 1.691431 -0.691382
H -1.297559 1.237166 -1.393583
H -0.071428 1.744932 -0.216891
H -2.629299 0.229516 0.611356
H -1.426997 0.993596 1.676574
H -3.401997 2.280443 2.631823
H -3.633421 3.829044 1.781193
H -4.710730 1.942576 0.245625
H -3.588601 1.636037 -1.099942
H 2.383003 -2.679642 2.609856
H -1.631441 -0.540451 -2.758618
H 4.381701 -1.213005 2.218347
H 1.358498 1.190924 -1.860693
H -1.908477 -4.656037 0.094958
H -1.903748 4.055058 3.577323
H -1.194591 4.357899 1.954212
H -0.887570 2.813136 2.797545
H -5.013141 3.626890 -1.594642
H -4.413989 4.468179 -0.140472
H -3.284023 4.102215 -1.473553
H 5.481087 0.610616 0.946934
H -3.046889 -2.469271 -3.490579
H -3.174070 -4.550787 -2.077800
H 3.394328 2.537928 -2.340175
H 5.450489 2.291115 -0.909920


