%chk=000214322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214322

0 1
O 4.545909 1.214417 -0.123557
N -1.981354 -0.746242 -0.909655
C 0.429846 -1.240885 -0.737258
C 0.095866 -0.794870 -2.190736
C -0.972775 -1.526525 -0.126665
C -1.316284 -0.191373 -2.135531
C 1.269804 -2.537347 -0.739938
C 1.176735 -0.099032 -0.052066
C 1.640098 -3.018614 0.669529
C -2.906648 0.078674 -0.217192
C 2.531542 0.093331 -0.342801
C 0.533847 0.793191 0.825039
C 2.467737 -4.300842 0.623051
C -3.619451 1.087098 -0.909550
C -3.231454 -0.180933 1.135734
C 3.221964 1.161342 0.259404
C 1.238527 1.845925 1.410712
C 2.595523 2.048971 1.141969
C -4.620826 1.804515 -0.258142
C -4.237161 0.548946 1.765823
C -4.935680 1.547225 1.079969
C 5.367365 2.271254 0.427246
H 0.122861 -1.658331 -2.878534
H 0.831294 -0.069316 -2.576859
H -1.241226 -2.600112 -0.249708
H -1.004275 -1.313938 0.960891
H -1.267520 0.918289 -2.119512
H -1.924855 -0.491876 -3.014167
H 2.194535 -2.379050 -1.330757
H 0.715724 -3.335362 -1.272589
H 0.725474 -3.186901 1.269801
H 2.207616 -2.226303 1.200038
H 3.070925 -0.565932 -1.020030
H -0.525836 0.682472 1.051234
H 1.925132 -5.117919 0.134652
H 3.406645 -4.156346 0.076088
H 2.728462 -4.638217 1.632860
H -3.407853 1.299674 -1.952705
H -2.710050 -0.959489 1.686776
H 0.721712 2.526105 2.089160
H 3.128377 2.869637 1.605411
H -5.165206 2.576731 -0.801534
H -4.480308 0.337231 2.806868
H -5.715904 2.112901 1.578632
H 5.428894 2.176949 1.515110
H 4.982992 3.249020 0.123339
H 6.339260 2.067758 -0.040753


%chk=000214322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214322

0 1
O 4.862334 1.111797 -0.315340
N -1.767917 -0.261202 -0.604939
C 0.474795 -1.126327 -0.616159
C 0.042590 -0.705486 -2.066165
C -0.913548 -1.248879 0.079412
C -1.152688 0.246373 -1.849130
C 1.206059 -2.498572 -0.625656
C 1.343955 0.004928 -0.013516
C 1.595113 -3.040562 0.769070
C -3.017570 0.139882 -0.139649
C 2.709560 0.101139 -0.371038
C 0.805388 1.005524 0.842419
C 2.343591 -4.388028 0.683166
C -3.746802 1.182269 -0.795682
C -3.611118 -0.473954 1.009119
C 3.525068 1.148232 0.119425
C 1.621298 2.047858 1.328558
C 2.988080 2.135037 0.981266
C -5.010005 1.584141 -0.318703
C -4.874039 -0.055816 1.473748
C -5.589436 0.974701 0.819400
C 5.755691 2.169723 0.160288
H -0.285275 -1.605375 -2.620877
H 0.864816 -0.230464 -2.626680
H -1.308489 -2.281766 -0.043819
H -0.857186 -1.048557 1.166509
H -0.817164 1.298883 -1.732523
H -1.869422 0.210074 -2.692920
H 2.117559 -2.435563 -1.252568
H 0.543474 -3.233726 -1.128314
H 0.683756 -3.166214 1.387830
H 2.228398 -2.296164 1.288485
H 3.181010 -0.630037 -1.035483
H -0.252961 0.987738 1.118041
H 1.726443 -5.157773 0.181733
H 3.282022 -4.283112 0.106470
H 2.606693 -4.768048 1.687253
H -3.318942 1.683893 -1.669511
H -3.091580 -1.286464 1.527202
H 1.187483 2.809129 1.986829
H 3.602129 2.951551 1.372370
H -5.545121 2.386503 -0.840770
H -5.305504 -0.546065 2.354780
H -6.571446 1.292259 1.184889
H 5.849212 2.153795 1.263886
H 5.408232 3.169476 -0.166511
H 6.731466 1.949150 -0.297102


