%chk=000217541.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217541

0 1
S 9.196152 0.760213 -0.188027
O -2.550016 -0.521497 -0.383481
N 5.236161 0.249654 0.439100
C 1.768668 -1.234303 -0.272477
C 0.399157 -1.024225 0.386104
C 2.837920 -0.347847 0.377584
C -0.672203 -1.916740 -0.251756
C 4.206070 -0.552080 -0.292794
C -2.053770 -1.682335 0.354424
C 6.570667 0.183561 -0.237858
C -3.780932 -0.008123 -0.035475
C 7.588865 0.877133 0.666373
C -4.138244 1.151228 -0.778519
C -4.624711 -0.544760 0.939877
C -5.369208 1.745695 -0.506377
C -3.222357 1.698061 -1.821319
C -5.855048 0.081131 1.186098
C -6.227156 1.216445 0.471240
H 2.064593 -2.298799 -0.196259
H 1.701983 -1.014834 -1.355965
H 0.467000 -1.227470 1.472209
H 0.090759 0.037599 0.295038
H 2.920124 -0.577576 1.459980
H 2.535695 0.715367 0.319870
H -0.399261 -2.984557 -0.148017
H -0.725122 -1.717394 -1.344714
H 4.144754 -0.302264 -1.374062
H 4.503300 -1.623031 -0.227399
H -2.741342 -2.525370 0.170301
H -2.024396 -1.436038 1.428588
H 4.932044 1.227678 0.503418
H 6.566015 0.638569 -1.253792
H 6.843007 -0.890147 -0.368697
H 7.328043 1.935892 0.843800
H 7.628902 0.382197 1.656384
H -4.352011 -1.428600 1.504768
H -5.671571 2.634398 -1.059419
H -3.177767 2.793846 -1.796577
H -2.193944 1.322978 -1.693754
H -3.549392 1.397481 -2.826912
H -6.519596 -0.330487 1.944263
H -7.181734 1.698519 0.665330
H 9.997702 1.221931 0.794399


%chk=000217541-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217541

0 1
S 9.322728 0.820279 -0.138130
O -2.505968 -0.469945 -0.311613
N 5.228841 0.322863 0.241154
C 1.771840 -1.363105 -0.231744
C 0.359033 -1.069134 0.318607
C 2.837882 -0.373544 0.288756
C -0.699854 -2.073327 -0.187062
C 4.239655 -0.641966 -0.291688
C -2.119885 -1.759599 0.291692
C 6.611515 0.138254 -0.247203
C -3.784398 0.042286 -0.023299
C 7.569710 1.007671 0.582552
C -4.087890 1.288220 -0.649722
C -4.723190 -0.603379 0.816930
C -5.357562 1.856370 -0.404708
C -3.063834 1.958705 -1.542389
C -5.985847 -0.006612 1.041826
C -6.308709 1.223676 0.433002
H 2.068073 -2.398175 0.040789
H 1.744532 -1.328543 -1.341084
H 0.384007 -1.087746 1.428372
H 0.049952 -0.047108 0.026319
H 2.897618 -0.422430 1.393357
H 2.526464 0.662280 0.033813
H -0.441107 -3.096588 0.154934
H -0.697596 -2.094369 -1.294566
H 4.182099 -0.629503 -1.410472
H 4.569184 -1.660230 -0.003150
H -2.833781 -2.544911 -0.032721
H -2.158548 -1.676863 1.398649
H 4.908164 1.293082 0.107671
H 6.736102 0.372766 -1.333929
H 6.883081 -0.926181 -0.116560
H 7.283880 2.072740 0.530693
H 7.565911 0.675693 1.632159
H -4.485987 -1.558232 1.294932
H -5.603625 2.813511 -0.880425
H -3.457847 2.902753 -1.956191
H -2.134144 2.180091 -0.985766
H -2.773033 1.299627 -2.381097
H -6.710489 -0.508600 1.692759
H -7.285544 1.687995 0.604844
H 9.976364 1.502328 0.875207


