%chk=000203499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203499

1 1
O 0.541377 2.278668 0.891362
N -2.503813 -0.201600 0.003704
C -1.025843 0.209113 0.024036
C -3.015257 -0.120230 -1.448425
C -2.631162 -1.654155 0.497801
C -0.376943 0.180432 1.408926
C -3.312001 0.722092 0.888235
C 0.944883 0.982240 1.379388
C -2.984259 1.282424 -2.024097
C -4.058672 -2.166240 0.527117
C 1.990131 0.353193 0.485733
C 2.789160 -0.681681 0.992535
C 2.171486 0.796065 -0.830553
C 3.762454 -1.270797 0.181018
C 3.149020 0.206727 -1.637469
C 3.943645 -0.827937 -1.133874
H -0.939291 1.254988 -0.385728
H -0.454199 -0.444038 -0.676653
H -2.396877 -0.807760 -2.073892
H -4.058855 -0.520242 -1.478269
H -2.001648 -2.302232 -0.158495
H -2.187992 -1.721278 1.520816
H -0.162362 -0.853938 1.743324
H -1.033802 0.640425 2.176650
H -3.076083 1.785319 0.683341
H -4.397821 0.586776 0.735062
H -3.101145 0.547813 1.959519
H 1.334600 1.116992 2.418000
H -3.246273 1.258195 -3.098059
H -3.710122 1.963193 -1.557394
H -1.995925 1.762386 -1.968189
H -4.072588 -3.232212 0.822782
H -4.694407 -1.649301 1.259589
H -4.565719 -2.122412 -0.447030
H 1.305114 2.899445 0.892774
H 2.667139 -1.023846 2.019411
H 1.562531 1.612372 -1.219002
H 4.389111 -2.071822 0.576633
H 3.298711 0.560063 -2.658443
H 4.710297 -1.284099 -1.762383


%chk=000203499-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203499

1 1
O 0.572928 2.318598 1.106790
N -2.541856 -0.168007 0.030240
C -1.048105 0.241755 0.078641
C -3.015582 -0.141881 -1.449955
C -2.682088 -1.614238 0.578545
C -0.384523 0.157662 1.462931
C -3.381246 0.798572 0.861214
C 0.958712 0.940904 1.453097
C -2.870036 1.206128 -2.164966
C -4.095343 -2.206539 0.542389
C 2.003192 0.354581 0.499412
C 2.827967 -0.711546 0.939206
C 2.160707 0.853414 -0.818256
C 3.784455 -1.282573 0.070665
C 3.123724 0.287300 -1.684954
C 3.933566 -0.785011 -1.245383
H -0.994552 1.286783 -0.263166
H -0.526088 -0.402733 -0.649569
H -2.432640 -0.925562 -1.965499
H -4.073582 -0.449561 -1.435453
H -1.979744 -2.227097 -0.013974
H -2.313973 -1.577962 1.616378
H -0.172327 -0.883342 1.761352
H -1.016141 0.627198 2.238728
H -3.068795 1.829193 0.641534
H -4.444021 0.667697 0.611456
H -3.226982 0.592481 1.929858
H 1.358495 0.906898 2.488168
H -3.312652 1.097186 -3.170956
H -3.417810 2.020650 -1.662131
H -1.821620 1.511893 -2.307282
H -4.054483 -3.193186 1.036933
H -4.829147 -1.601757 1.101395
H -4.472535 -2.379167 -0.478231
H 1.363533 2.911421 1.165187
H 2.738444 -1.086778 1.967160
H 1.550728 1.700537 -1.153067
H 4.422331 -2.100104 0.422759
H 3.249859 0.687968 -2.696670
H 4.683829 -1.218677 -1.914724


