%chk=000105433.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105433

0 1
S -0.074243 0.276575 0.517237
O 0.239791 0.809247 1.831415
O 0.556450 -0.961516 0.080071
N 0.354535 1.497667 -0.626694
N -5.910906 -0.224727 -0.228441
C 3.394502 0.744758 -0.038006
C 2.846710 1.980821 -0.760440
C 4.838636 0.443416 -0.459590
C 1.462397 2.414304 -0.250154
C 5.369689 -0.816100 0.239837
C -1.767792 0.133406 0.308265
C 6.806269 -1.130180 -0.172126
C -2.307106 -1.027523 -0.267082
C -2.624028 1.162545 0.726304
C -3.677495 -1.169942 -0.431814
C -3.999691 1.049752 0.574486
C -4.538708 -0.122682 -0.013797
H 3.343759 0.891340 1.059314
H 2.752268 -0.139368 -0.245863
H 3.549700 2.828329 -0.630435
H 2.811660 1.792567 -1.850716
H 5.491282 1.305516 -0.224888
H 4.892892 0.311578 -1.557014
H 1.211901 3.415898 -0.672807
H 1.480956 2.543398 0.859826
H 5.313360 -0.688213 1.338699
H 4.714100 -1.678897 0.006184
H 0.446691 1.191196 -1.603738
H 6.887219 -1.303522 -1.250966
H 7.487196 -0.310225 0.081429
H 7.173216 -2.030471 0.333241
H -1.634688 -1.836179 -0.585219
H -2.206232 2.066310 1.184499
H -4.083884 -2.070906 -0.881038
H -4.653200 1.854137 0.897605
H -6.536922 0.422484 0.219416
H -6.314087 -1.112296 -0.475499


%chk=000105433-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105433

0 1
S -0.043395 0.173954 0.389672
O 0.341367 0.827061 1.835464
O 0.548457 -1.275746 -0.090454
N 0.388369 1.504541 -0.893257
N -6.075780 -0.191473 -0.016229
C 3.458313 0.792372 -0.054994
C 2.915794 2.020964 -0.820538
C 4.918751 0.455273 -0.431457
C 1.471795 2.431607 -0.453084
C 5.468776 -0.772510 0.330194
C -1.899126 0.075899 0.256400
C 6.926094 -1.115012 -0.047366
C -2.460710 -0.995629 -0.460263
C -2.681228 1.056191 0.893787
C -3.860847 -1.085002 -0.549040
C -4.079996 0.963182 0.802562
C -4.691521 -0.104714 0.074780
H 3.391049 0.984290 1.034885
H 2.821105 -0.094319 -0.248437
H 3.573230 2.892030 -0.617263
H 2.978106 1.838850 -1.915364
H 5.568768 1.332970 -0.227772
H 4.985085 0.266370 -1.524200
H 1.221678 3.409357 -0.910633
H 1.368667 2.547539 0.644265
H 5.401981 -0.582299 1.420677
H 4.815528 -1.645288 0.129431
H 0.650298 0.953414 -1.735743
H 7.013892 -1.339544 -1.127521
H 7.603806 -0.268581 0.174638
H 7.292297 -1.996077 0.511395
H -1.810685 -1.751005 -0.913641
H -2.205634 1.861021 1.462866
H -4.318336 -1.916031 -1.098070
H -4.707427 1.714857 1.295236
H -6.673169 0.496465 0.433258
H -6.519155 -0.952479 -0.522683


