%chk=000219748.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219748

0 1
N 3.794921 -1.401958 0.021035
N -0.693499 0.002284 0.003731
N 3.401562 1.067705 0.000458
N 1.018914 1.637098 -0.007738
N 3.012755 -2.533503 0.029587
C 1.641010 -0.707825 0.012899
C 3.009730 -0.252515 0.011038
C 0.643264 0.313200 0.002878
C -1.738804 1.060438 -0.006743
C 1.718679 -2.139486 0.024676
C -3.100079 0.414929 -0.008137
C 2.366775 1.951885 -0.008525
C 5.261087 -1.486707 0.025645
C -3.727695 0.100746 -1.222239
C -3.741866 0.125102 1.204586
C 2.698389 3.407339 -0.020331
C -4.992459 -0.493937 -1.221111
C -5.006638 -0.469595 1.200593
C -5.633169 -0.779232 -0.010971
H -1.591424 1.719756 -0.897644
H -1.598034 1.730543 0.877087
H -0.995870 -0.965299 0.011460
H 0.901022 -2.840914 0.029268
H 5.618512 -2.010895 0.931340
H 5.622091 -2.043094 -0.859184
H 5.693969 -0.467105 0.008344
H -3.231296 0.321154 -2.166682
H -3.256563 0.364398 2.150189
H 3.785979 3.581120 -0.019809
H 2.274596 3.899401 -0.909996
H 2.271437 3.914458 0.859335
H -5.479649 -0.734587 -2.165078
H -5.504866 -0.691277 2.143443
H -6.619180 -1.241228 -0.012102


%chk=000219748-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219748

0 1
N 3.816190 -1.392913 0.019637
N -0.686942 0.011819 0.007063
N 3.418571 1.036663 0.000174
N 1.036280 1.609093 -0.005054
N 3.060304 -2.571797 0.028792
C 1.658058 -0.737353 0.014223
C 3.008763 -0.268698 0.010653
C 0.656385 0.293091 0.005509
C -1.725261 1.067839 -0.003779
C 1.757631 -2.167475 0.025556
C -3.109238 0.438962 -0.007024
C 2.381306 1.923291 -0.007271
C 5.275732 -1.438656 0.021459
C -3.751378 0.114816 -1.229799
C -3.772127 0.146555 1.212623
C 2.716409 3.394676 -0.019327
C -5.028848 -0.489916 -1.235006
C -5.049731 -0.458020 1.211760
C -5.680739 -0.778276 -0.013109
H -1.574228 1.709010 -0.892124
H -1.583276 1.719771 0.878220
H -0.992290 -0.961595 0.014999
H 0.977660 -2.927717 0.031374
H 5.643128 -1.948645 0.927748
H 5.643699 -1.976769 -0.868069
H 5.639791 -0.399519 0.005643
H -3.250282 0.344164 -2.178427
H -3.287134 0.400420 2.163364
H 3.807775 3.532831 -0.019795
H 2.280111 3.879737 -0.911028
H 2.278921 3.894561 0.863547
H -5.515738 -0.730538 -2.186681
H -5.552801 -0.673916 2.160953
H -6.673102 -1.243094 -0.015498


