%chk=000216945.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216945

0 1
S -0.554594 0.623825 0.860333
S 0.558537 0.625062 -0.857438
N -6.058492 0.861398 1.068829
N 6.060325 0.845758 -1.065197
N -4.214035 -0.242785 0.058868
N 4.213224 -0.259646 -0.061503
N -3.883334 1.761168 1.454636
N 3.887787 1.754901 -1.443295
C -2.831125 -0.328886 -0.429656
C 2.830529 -0.345200 0.427661
C -1.812863 -0.658136 0.667135
C 1.810260 -0.664203 -0.670247
C -6.928668 -0.241742 0.548461
C 6.927474 -0.263548 -0.552942
C -4.653870 0.738982 0.804112
C 4.655487 0.725857 -0.800319
C -8.365167 -0.013213 1.006802
C 8.364446 -0.035984 -1.010297
H -2.541235 0.576019 -1.010774
H -2.850619 -1.163619 -1.176298
H 2.543638 0.556430 1.015321
H 2.848447 -1.185144 1.168510
H -1.343980 -1.643181 0.487331
H -2.305704 -0.744998 1.663068
H 2.302450 -0.749224 -1.666654
H 1.336242 -1.647548 -0.494653
H -6.858605 -0.225733 -0.564737
H -6.564603 -1.244578 0.868101
H 6.857933 -0.255158 0.560370
H 6.560356 -1.263044 -0.879459
H -6.269996 1.093644 2.044967
H 6.271818 1.083881 -2.039937
H -9.037944 -0.743931 0.540919
H -8.725249 0.985230 0.724366
H -8.478858 -0.111573 2.091955
H 8.727517 0.959427 -0.721064
H 9.035297 -0.771871 -0.549812
H 8.477400 -0.127087 -2.096159
H -2.972372 1.944292 1.041883
H -4.365576 2.631094 1.650525
H 2.977466 1.937785 -1.028992
H 4.372555 2.624780 -1.633122


%chk=000216945-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216945

0 1
S -0.569625 -0.563668 0.983139
S 0.568828 -0.561111 -0.997261
N -5.209250 1.336262 0.611609
N 5.213697 1.321195 -0.600130
N -4.038955 -0.689024 0.365456
N 4.035311 -0.701426 -0.372303
N -3.066942 1.436399 -0.332721
N 3.070883 1.422085 0.342709
C -3.005060 -1.488889 -0.306972
C 2.997834 -1.503137 0.292250
C -1.861831 -1.923378 0.630248
C 1.855584 -1.927597 -0.650630
C -6.417774 0.645934 1.090082
C 6.419973 0.629942 -1.082971
C -4.070313 0.621540 0.219177
C 4.071478 0.607748 -0.215020
C -7.625668 1.599531 1.086245
C 7.630818 1.579744 -1.073170
H -2.565068 -1.007966 -1.212105
H -3.491084 -2.427804 -0.646803
H 2.557048 -1.027719 1.199884
H 3.480469 -2.445898 0.626243
H -1.307065 -2.790634 0.232451
H -2.262411 -2.171568 1.630249
H 2.257719 -2.170256 -1.651374
H 1.297085 -2.795739 -0.260048
H -6.587270 -0.219057 0.426564
H -6.259385 0.224532 2.105456
H 6.586898 -0.239736 -0.424932
H 6.260181 0.215441 -2.100950
H -5.058523 2.290276 0.946572
H 5.067044 2.278404 -0.927715
H -8.529689 1.072995 1.440837
H -7.822192 1.982578 0.068881
H -7.462186 2.466095 1.756525
H 7.828565 1.955828 -0.053442
H 8.533196 1.052639 -1.431060
H 7.469967 2.450946 -1.738043
H -2.096115 1.131332 -0.268472
H -3.295797 2.315179 -0.791269
H 2.098854 1.121942 0.274768
H 3.303073 2.295544 0.809643


