%chk=000201721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201721

0 1
O 4.994661 0.169423 0.767894
N -2.421795 -0.187560 -0.003209
C 0.053962 0.013758 0.404787
C -0.142151 -0.782609 1.724393
C -1.061895 -0.398814 -0.599060
C -0.034838 1.538099 0.672238
C -1.565209 -0.643265 2.271115
C -2.608702 -1.039622 1.216442
C 1.446423 -0.350801 -0.122130
C 0.373311 2.397020 -0.532033
C -3.482843 -0.484105 -1.024722
C 2.573468 0.103599 0.586486
C 1.639056 -1.143929 -1.261991
C 0.190626 3.885982 -0.245360
C -4.796985 0.085287 -0.560049
C 3.848522 -0.241699 0.127251
C 2.928637 -1.475292 -1.700946
C 4.055499 -1.031479 -1.016288
C -5.974877 -0.440196 -0.888495
H 0.586635 -0.446073 2.484434
H 0.086310 -1.850767 1.540718
H -0.984159 0.245643 -1.503823
H -0.903450 -1.450341 -0.925062
H 0.582984 1.804438 1.548555
H -1.082330 1.780626 0.955519
H -1.690021 -1.270995 3.172770
H -1.745215 0.402420 2.593123
H -2.540559 -2.127244 0.999799
H -3.631727 -0.853721 1.610732
H -0.231218 2.110720 -1.416435
H 1.427686 2.195305 -0.806677
H -3.570745 -1.566848 -1.262688
H -3.206612 0.025421 -1.979089
H 2.453761 0.722201 1.470171
H 0.788481 -1.521838 -1.825043
H -0.854357 4.125551 -0.016030
H 0.796651 4.211683 0.606896
H 0.484326 4.493034 -1.108825
H -4.709788 0.985266 0.055130
H 3.049175 -2.091471 -2.592741
H 5.064661 -1.273865 -1.335511
H -6.917300 -0.014155 -0.576900
H -6.096391 -1.327313 -1.491195
H 4.799531 0.729524 1.557447


%chk=000201721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201721

0 1
O 5.049466 -0.090793 1.014389
N -2.408939 -0.233180 -0.039637
C 0.059932 -0.000863 0.395696
C -0.172372 -0.744439 1.756865
C -1.052730 -0.489124 -0.579297
C -0.050610 1.549216 0.603644
C -1.616437 -0.592189 2.285415
C -2.641934 -0.996792 1.210190
C 1.468188 -0.361102 -0.130074
C 0.280977 2.415509 -0.633085
C -3.469850 -0.459969 -1.053127
C 2.599516 -0.067588 0.678683
C 1.697008 -0.964101 -1.393861
C 0.188875 3.925124 -0.320116
C -4.802536 0.121283 -0.625608
C 3.906775 -0.370064 0.238767
C 3.011161 -1.265373 -1.826076
C 4.127614 -0.974943 -1.019318
C -5.989964 -0.530974 -0.686734
H 0.545834 -0.380034 2.515877
H 0.047546 -1.821178 1.603852
H -0.966135 0.032574 -1.550425
H -0.902179 -1.584088 -0.772720
H 0.622778 1.845453 1.435079
H -1.083652 1.777702 0.924753
H -1.754360 -1.227885 3.181396
H -1.807284 0.452472 2.592529
H -2.562880 -2.101326 1.018985
H -3.670907 -0.797710 1.558913
H -0.419914 2.175010 -1.456878
H 1.296416 2.173333 -1.001258
H -3.596865 -1.544926 -1.302669
H -3.144764 0.048165 -1.984464
H 2.460034 0.408581 1.658811
H 0.860081 -1.202943 -2.055048
H -0.824082 4.197083 0.032807
H 0.907278 4.210237 0.472149
H 0.412443 4.537566 -1.213119
H -4.757594 1.159427 -0.264425
H 3.165122 -1.731041 -2.806138
H 5.150100 -1.199562 -1.335966
H -6.928811 -0.044795 -0.398804
H -6.056811 -1.570861 -1.031453
H 4.795661 0.330108 1.873098


