%chk=000216985.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216985

0 1
N 0.069825 -1.997635 -0.189545
N -1.946195 -0.935790 -0.092843
C -0.551824 -0.712076 -0.073819
C 1.690514 -0.450191 -0.083899
C 0.446816 0.257707 -0.013124
C 1.454710 -1.834001 -0.192064
C -0.928310 -2.990365 -0.277172
C -2.146864 -2.341903 -0.216487
C -2.968519 0.051782 0.032128
C 3.012117 0.176015 -0.049539
C -2.675390 1.288254 0.638011
C -4.263076 -0.220023 -0.451427
C 4.059405 -0.414178 0.679543
C 3.245479 1.374431 -0.746997
C -3.683124 2.246648 0.751780
C -5.255983 0.752417 -0.320604
C 5.319654 0.187501 0.707960
C 4.508246 1.969767 -0.714512
C -4.972661 1.984524 0.277123
C 5.547426 1.378915 0.011940
H 0.330248 1.315657 0.071483
H 2.148298 -2.644309 -0.278868
H -0.708481 -4.037552 -0.370633
H -3.135037 -2.769024 -0.239608
H -1.676922 1.495455 1.023556
H -4.492081 -1.167000 -0.934198
H 3.883146 -1.336684 1.229413
H 2.439372 1.831891 -1.318431
H -3.460299 3.206511 1.219087
H -6.259918 0.547479 -0.693278
H 6.126386 -0.272715 1.275524
H 4.684049 2.896403 -1.257885
H -5.752360 2.737273 0.372048
H 6.529653 1.845017 0.035534


%chk=000216985-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216985

0 1
N 0.045647 -1.996366 -0.036988
N -1.962112 -0.952888 -0.025218
C -0.569014 -0.725008 0.001414
C 1.694418 -0.451108 -0.019486
C 0.427478 0.258797 0.004327
C 1.431658 -1.840130 -0.044334
C -0.943277 -2.997567 -0.090328
C -2.166813 -2.356791 -0.084770
C -2.982985 0.037130 0.012641
C 3.032545 0.172662 -0.021072
C -2.705152 1.331770 0.524381
C -4.288939 -0.261922 -0.459369
C 4.192950 -0.567444 0.345969
C 3.205654 1.536126 -0.392616
C -3.722500 2.307658 0.561262
C -5.298853 0.719936 -0.408125
C 5.471799 0.026040 0.332340
C 4.483290 2.134426 -0.396857
C -5.025059 2.011902 0.098744
C 5.626550 1.383294 -0.037345
H 0.297668 1.336335 0.039847
H 2.104808 -2.689638 -0.113283
H -0.716637 -4.058148 -0.112206
H -3.160712 -2.790631 -0.066387
H -1.713457 1.561658 0.921625
H -4.511558 -1.242772 -0.891150
H 4.087590 -1.610755 0.665192
H 2.335167 2.125852 -0.700907
H -3.495689 3.301003 0.963896
H -6.300758 0.477733 -0.779404
H 6.347942 -0.566238 0.620766
H 4.588872 3.185563 -0.689214
H -5.811466 2.772895 0.130099
H 6.619249 1.846823 -0.043249


