%chk=000288587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288587

0 1
S -0.429805 -1.158249 0.920112
S 0.427903 -1.146591 -0.934270
N -3.624495 -0.871745 0.724907
N 3.622473 -0.861407 -0.735485
N -5.302884 0.749313 0.468467
N 5.300319 0.756917 -0.459056
N -7.134523 -1.259305 -0.404163
N 7.132635 -1.261700 0.388719
C -2.909831 -1.976852 0.029267
C 2.908205 -1.975325 -0.053633
C -1.723349 -2.419487 0.877921
C 1.721887 -2.407805 -0.907729
C -4.925188 -0.536944 0.312113
C 4.923050 -0.531299 -0.318575
C -6.631760 1.059722 0.218426
C 6.629095 1.064659 -0.205223
C -7.550524 0.056037 -0.222672
C 7.548201 0.055913 0.223442
C -5.872912 -1.551656 -0.148768
C 5.871113 -1.551297 0.129764
C -7.088869 2.405332 0.390439
C 7.085753 2.412443 -0.360622
C -8.911810 0.409307 -0.483154
C 8.909379 0.406392 0.488229
C -8.401304 2.709526 0.130909
C 8.398094 2.713844 -0.097389
C -9.319362 1.707787 -0.307684
C 9.316497 1.707072 0.328783
H -3.607077 -2.839869 -0.105832
H -2.583284 -1.676204 -0.995127
H 2.581544 -1.687547 0.974414
H 3.605757 -2.839707 0.070738
H -2.028579 -2.576562 1.939309
H -1.329905 -3.390940 0.524388
H 2.027182 -2.551580 -1.970980
H 1.328781 -3.383708 -0.566287
H -3.025247 -0.064195 0.951442
H 3.022936 -0.051323 -0.951988
H -5.546254 -2.589107 -0.278625
H 5.544801 -2.590378 0.246834
H -6.372871 3.156200 0.726884
H 6.369497 3.167168 -0.687756
H -9.595248 -0.373010 -0.817299
H 9.593085 -0.379763 0.812678
H -8.767949 3.729035 0.256861
H 8.764399 3.734951 -0.210756
H -10.351690 1.997051 -0.500007
H 10.348735 1.994282 0.524632


%chk=000288587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288587

0 1
S -0.325122 -1.258253 1.100831
S 0.317908 -1.233865 -1.083040
N -3.504407 -1.003983 0.604409
N 3.496936 -0.989712 -0.597017
N -5.135363 0.663677 0.656114
N 5.127481 0.678159 -0.635456
N -6.930107 -1.034639 -0.816748
N 6.939338 -1.048067 0.782810
C -2.874219 -2.249880 0.169027
C 2.870452 -2.244516 -0.182593
C -1.671582 -2.603921 1.052277
C 1.662772 -2.581390 -1.066118
C -4.774447 -0.581976 0.254642
C 4.771143 -0.575117 -0.253929
C -6.414233 1.085971 0.335512
C 6.410068 1.094320 -0.322007
C -7.328791 0.234211 -0.400818
C 7.333284 0.228568 0.386637
C -5.689680 -1.425757 -0.499401
C 5.695100 -1.433113 0.472913
C -6.852123 2.388138 0.734025
C 6.843253 2.404007 -0.700541
C -8.641677 0.696932 -0.713032
C 8.649951 0.685260 0.691805
C -8.144171 2.818715 0.415829
C 8.139132 2.828435 -0.389772
C -9.045591 1.973626 -0.309230
C 9.049124 1.969563 0.307865
H -3.597887 -3.084865 0.249279
H -2.543563 -2.200153 -0.891814
H 2.546025 -2.216183 0.880954
H 3.594255 -3.077064 -0.283607
H -1.965787 -2.699569 2.113744
H -1.205510 -3.543780 0.716865
H 1.951836 -2.657568 -2.130563
H 1.197440 -3.526930 -0.745902
H -2.898842 -0.284087 1.013672
H 2.887529 -0.261740 -0.985836
H -5.386303 -2.418455 -0.849535
H 5.395708 -2.432320 0.807695
H -6.151110 3.020842 1.287135
H 6.135706 3.047207 -1.232828
H -9.303839 0.026413 -1.270142
H 9.318728 0.004189 1.227801
H -8.475164 3.816864 0.724137
H 8.466562 3.832359 -0.682766
H -10.052332 2.333727 -0.546354
H 10.058720 2.325115 0.539671


