%chk=000247776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247776

0 1
S 0.924696 -1.770357 0.442869
S -0.924664 -1.773310 -0.430757
N 5.550183 0.424634 0.069310
N -5.550421 0.423504 -0.071501
C 3.265793 -0.512488 0.175112
C -3.265916 -0.514013 -0.171184
C 4.164875 0.546153 -0.494743
C -4.165157 0.548786 0.491839
C 1.877556 -0.506512 -0.451442
C -1.877714 -0.503872 0.455394
C 5.642015 1.064849 1.415216
C 6.547984 1.035072 -0.859760
C -5.642253 1.055084 -1.421482
C -6.548344 1.039759 0.853592
H 3.210971 -0.321912 1.266728
H 3.747820 -1.509642 0.073355
H -3.211055 -0.330414 -1.263994
H -3.747835 -1.510552 -0.063080
H 3.728169 1.559002 -0.370155
H 4.207081 0.350524 -1.588630
H -3.728559 1.560867 0.360803
H -4.207400 0.360149 1.586952
H 1.392496 0.481736 -0.359742
H 1.917134 -0.750684 -1.529939
H -1.392761 0.483824 0.357400
H -1.917324 -0.741142 1.535429
H 4.917927 0.584720 2.093571
H 5.460632 2.149104 1.427665
H 6.645106 0.875857 1.830497
H 7.557390 0.900728 -0.437953
H 6.400624 2.104939 -1.064678
H 6.527617 0.488183 -1.816262
H -5.460987 2.139256 -1.440861
H -6.645302 0.863330 -1.835597
H -4.918078 0.570702 -2.096713
H -7.557711 0.902605 0.432597
H -6.401119 2.110931 1.051671
H -6.527968 0.499001 1.813573


%chk=000247776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247776

0 1
S 0.967387 -1.959327 0.602913
S -0.967021 -1.965368 -0.583164
N 5.629805 0.538269 0.031131
N -5.630045 0.537289 -0.037083
C 3.368075 -0.554354 0.279111
C -3.368430 -0.558359 -0.272865
C 4.231140 0.500345 -0.454585
C -4.232773 0.500886 0.452731
C 1.978993 -0.676652 -0.374021
C -1.980459 -0.676329 0.383438
C 5.756816 1.029532 1.417990
C 6.515053 1.276646 -0.893529
C -5.752805 1.022494 -1.426468
C -6.517520 1.280316 0.881723
H 3.249154 -0.280137 1.344648
H 3.898305 -1.524136 0.242541
H -3.247649 -0.290834 -1.339884
H -3.898709 -1.527907 -0.231147
H 3.733734 1.504575 -0.372685
H 4.260741 0.243465 -1.531506
H -3.734384 1.504292 0.366771
H -4.265513 0.249833 1.530930
H 1.431439 0.280835 -0.348527
H 2.047360 -1.031564 -1.415255
H -1.432954 0.281018 0.352420
H -2.050555 -1.024186 1.426939
H 5.202635 0.375977 2.112344
H 5.380621 2.077230 1.549571
H 6.819777 1.008480 1.717417
H 7.560496 1.203092 -0.543715
H 6.258925 2.363450 -0.985466
H 6.461007 0.826234 -1.900817
H -5.375721 2.069433 -1.561489
H -6.814895 1.000624 -1.728897
H -5.196892 0.365662 -2.116336
H -7.561991 1.205847 0.529209
H -6.260975 2.367361 0.969554
H -6.466670 0.834370 1.891160


