%chk=000211354.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211354

0 1
O -2.385579 2.256610 0.369998
O 5.116191 -0.865689 0.254159
N -2.943786 0.323419 -0.685056
N 0.354971 1.806392 -0.493634
C -4.629255 -1.912578 0.155955
C -4.926585 -0.475556 0.605530
C -3.134931 -2.102319 -0.141595
C -4.392218 0.552877 -0.404808
C -2.643423 -1.053446 -1.153749
C -2.018435 1.174684 -0.079676
C -0.570461 0.826398 -0.105403
C 1.504528 -0.075607 0.134337
C 0.103693 -0.329458 0.283297
C 1.643281 1.270983 -0.349848
C 2.658560 -0.859915 0.361298
C 2.909789 1.847519 -0.612650
C 3.879984 -0.269893 0.098336
C 4.022803 1.074579 -0.386727
C 5.148186 -2.222396 0.756431
H -4.950699 -2.625390 0.938681
H -5.226301 -2.156746 -0.743799
H -6.015192 -0.332669 0.738273
H -4.472181 -0.290191 1.599387
H -2.553063 -2.024011 0.797548
H -2.947761 -3.118279 -0.535470
H -4.941459 0.484445 -1.368613
H -4.531455 1.591250 -0.018169
H -1.558748 -1.171375 -1.361784
H -3.162908 -1.192123 -2.130985
H -0.329074 -1.238799 0.646615
H 0.122525 2.753294 -0.734267
H 2.554248 -1.872936 0.727690
H 2.987470 2.868385 -0.978229
H 5.030552 1.448104 -0.562465
H 4.639037 -2.896472 0.061798
H 4.713948 -2.266594 1.759444
H 6.226250 -2.426596 0.784852


%chk=000211354-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211354

0 1
O -2.224423 2.355853 -0.240951
O 5.299953 -0.757509 0.358953
N -2.942538 0.161559 -0.566651
N 0.395194 1.762128 -0.486930
C -4.878545 -1.861682 0.250084
C -5.045066 -0.369886 0.632674
C -3.387714 -2.213705 0.016337
C -4.359606 0.557999 -0.398861
C -2.767775 -1.236793 -1.009658
C -1.946224 1.108041 -0.379541
C -0.512185 0.706812 -0.318527
C 1.616723 -0.104341 -0.010336
C 0.219388 -0.459438 -0.016401
C 1.695613 1.303968 -0.307625
C 2.810136 -0.847014 0.224755
C 2.936938 1.981225 -0.377350
C 4.037995 -0.162877 0.153869
C 4.101353 1.237194 -0.143300
C 5.320097 -2.185772 0.667522
H -5.309757 -2.510720 1.035016
H -5.446143 -2.064473 -0.682266
H -6.117978 -0.106545 0.700324
H -4.597248 -0.186227 1.628692
H -2.829926 -2.143592 0.970900
H -3.288295 -3.252058 -0.354510
H -4.874901 0.480528 -1.379967
H -4.378288 1.613392 -0.084710
H -1.705265 -1.442940 -1.196084
H -3.299418 -1.355072 -1.979208
H -0.187277 -1.439959 0.222305
H 0.062979 2.720942 -0.605544
H 2.757558 -1.915587 0.451613
H 2.996542 3.050681 -0.604173
H 5.089694 1.704998 -0.181541
H 4.881117 -2.782914 -0.156650
H 4.776631 -2.403423 1.608680
H 6.383162 -2.442892 0.785762


