%chk=000297276.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297276

0 1
S -3.136946 -1.004815 -1.302321
N 3.603413 0.540257 -0.955018
N -1.082277 0.026198 0.784380
C 2.702699 0.655683 0.248334
C 1.229065 0.388939 -0.177735
C 3.152477 -0.395913 1.290659
C 0.802911 1.337089 -1.310998
C 3.206566 1.496412 -2.042936
C 1.767932 1.207878 -2.491217
C 5.037200 0.796353 -0.580930
C 4.611307 -0.182476 1.706062
C 0.290788 0.549376 1.042264
C 5.509012 -0.224935 0.465051
C -1.230679 -1.386828 0.654745
C -2.079765 0.942464 0.341010
C -2.192927 -1.970831 -0.191208
C -3.118345 0.565178 -0.532395
C -0.432297 -2.241191 1.449106
C -2.079119 2.263762 0.844841
C -2.387080 -3.351372 -0.225865
C -4.141459 1.450844 -0.869431
C -0.615630 -3.622144 1.395524
C -3.092024 3.152173 0.488326
C -1.592129 -4.184151 0.566197
C -4.127778 2.753389 -0.363464
H 2.767521 1.675982 0.706293
H 1.163584 -0.662722 -0.557221
H 3.036365 -1.410433 0.856817
H 2.492092 -0.355711 2.176954
H 0.769244 2.382954 -0.954162
H -0.227461 1.094342 -1.639404
H 3.899504 1.336622 -2.898126
H 3.303784 2.561219 -1.739835
H 1.708911 0.184410 -2.915505
H 1.480454 1.897864 -3.305117
H 5.204191 1.828127 -0.202740
H 5.648039 0.684595 -1.503631
H 4.919414 -0.961433 2.427933
H 4.726073 0.784678 2.230463
H 0.228763 1.619035 1.346075
H 0.708286 0.007638 1.926838
H 6.561068 -0.024913 0.735876
H 5.485836 -1.241392 0.022174
H 0.323444 -1.823482 2.112375
H -1.289454 2.587618 1.522098
H -3.151416 -3.784661 -0.874016
H -4.949110 1.133309 -1.532110
H 0.008305 -4.269557 2.011995
H -3.077989 4.167736 0.884375
H -1.732281 -5.261728 0.536689
H -4.918182 3.450565 -0.629366


%chk=000297276-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297276

0 1
S -3.301155 -0.569296 -1.586212
N 3.808039 0.357228 -0.873325
N -1.062626 0.118399 0.379593
C 2.785526 0.686401 0.168552
C 1.383953 0.151668 -0.262130
C 3.231522 0.091481 1.530760
C 1.000025 0.647553 -1.676770
C 3.445495 0.862202 -2.223068
C 2.099355 0.292625 -2.693438
C 5.169087 0.828296 -0.502584
C 4.650762 0.537697 1.941430
C 0.294174 0.577338 0.762528
C 5.652839 0.207228 0.817990
C -1.315206 -1.283689 0.275198
C -2.159034 1.033648 0.427115
C -2.373309 -1.765768 -0.545291
C -3.306019 0.824250 -0.389383
C -0.541697 -2.238555 0.990401
C -2.160218 2.160811 1.294649
C -2.667410 -3.140317 -0.630471
C -4.406848 1.701247 -0.346899
C -0.811105 -3.619351 0.876477
C -3.245013 3.064463 1.307088
C -1.876359 -4.079523 0.071118
C -4.374490 2.841560 0.488997
H 2.708080 1.806775 0.281574
H 1.459373 -0.953411 -0.293620
H 3.202530 -1.013885 1.447053
H 2.516192 0.387146 2.320262
H 0.862992 1.750250 -1.651338
H 0.029250 0.212666 -1.975244
H 4.253565 0.569865 -2.920268
H 3.389756 1.984554 -2.232502
H 2.183856 -0.806914 -2.788955
H 1.851690 0.699623 -3.692426
H 5.195062 1.948022 -0.409112
H 5.855047 0.555643 -1.326904
H 4.944308 0.049627 2.890254
H 4.654913 1.632264 2.125983
H 0.272269 1.680868 0.783922
H 0.547769 0.236590 1.786132
H 6.661992 0.591464 1.061711
H 5.729196 -0.890244 0.694510
H 0.270614 -1.903796 1.641920
H -1.319865 2.326044 1.975577
H -3.501275 -3.473085 -1.257721
H -5.278063 1.499848 -0.979344
H -0.190922 -4.333751 1.428935
H -3.212006 3.932478 1.974720
H -2.091613 -5.149552 -0.012789
H -5.221097 3.535315 0.504048


