%chk=000284636.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284636

0 1
O 0.018401 1.428413 -0.417668
N -0.704383 -0.663919 0.173438
C -2.172573 -0.356843 0.100540
C -4.465611 -1.354022 0.398286
C -4.038554 1.049394 1.033917
C -4.059149 0.371148 -1.396536
C -2.949951 -1.649207 0.467821
C -2.524096 0.768466 1.104525
C -2.544764 0.087613 -1.335320
C -4.820012 -0.232302 1.397970
C -4.840621 -0.910413 -1.032033
C -4.413849 1.493359 -0.396747
C 0.290053 0.277852 -0.098037
C 1.688380 -0.225841 0.030963
C 2.718250 0.599322 -0.200795
C 4.131598 0.203117 -0.095326
C 4.576812 -1.038963 -0.576188
C 5.051907 1.092615 0.486871
C 5.926131 -1.387514 -0.471130
C 6.397001 0.734502 0.596507
C 6.836570 -0.504530 0.117209
H -5.028137 -2.277715 0.660828
H -4.295283 1.858549 1.753415
H -4.330701 0.692005 -2.426894
H -2.681323 -1.993062 1.481479
H -2.695711 -2.469381 -0.225380
H -1.947639 1.683241 0.853443
H -2.224750 0.489251 2.127539
H -2.260316 -0.682222 -2.070531
H -1.968439 0.997703 -1.603324
H -5.905760 -0.034845 1.379673
H -4.580537 -0.546130 2.428375
H -4.616047 -1.713445 -1.754705
H -5.926801 -0.727210 -1.101510
H -5.488810 1.733605 -0.454684
H -3.873207 2.420340 -0.660031
H -0.447614 -1.608245 0.441909
H 1.827604 -1.263956 0.323466
H 2.537399 1.648789 -0.480917
H 3.871805 -1.726493 -1.040945
H 4.714220 2.059408 0.858707
H 6.268079 -2.349822 -0.849123
H 7.105998 1.423137 1.054019
H 7.886629 -0.779146 0.200626


%chk=000284636-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284636

0 1
O 0.080404 1.551744 -0.202428
N -0.730136 -0.627926 0.085213
C -2.184896 -0.322028 0.045503
C -4.486292 -1.403208 0.178027
C -4.111079 0.899783 1.170383
C -4.110686 0.586870 -1.346953
C -2.955226 -1.661757 0.212548
C -2.581473 0.637988 1.207324
C -2.581272 0.322123 -1.317469
C -4.872943 -0.443214 1.336239
C -4.872877 -0.755291 -1.180244
C -4.491860 1.548620 -0.188632
C 0.292299 0.303935 -0.034766
C 1.667143 -0.277477 0.049530
C 2.762420 0.530184 -0.066389
C 4.180444 0.146061 -0.007873
C 4.622961 -1.190289 0.219782
C 5.166935 1.158556 -0.186299
C 5.996495 -1.497287 0.264745
C 6.543126 0.852072 -0.142685
C 6.964649 -0.478447 0.083355
H -5.017397 -2.368047 0.297730
H -4.379813 1.585389 1.997929
H -4.377658 1.048844 -2.317743
H -2.675993 -2.135646 1.176929
H -2.671945 -2.359789 -0.602799
H -2.017029 1.581249 1.102707
H -2.292417 0.176669 2.172987
H -2.293340 -0.363554 -2.139401
H -2.016300 1.261598 -1.448019
H -5.967004 -0.266127 1.327875
H -4.622118 -0.903482 2.313375
H -4.622117 -1.440901 -2.014890
H -5.967047 -0.581956 -1.215230
H -5.579206 1.763419 -0.215681
H -3.961362 2.513562 -0.309213
H -0.467817 -1.607787 0.216917
H 1.763039 -1.361195 0.205077
H 2.543143 1.597149 -0.223912
H 3.889033 -1.991160 0.364243
H 4.841868 2.191363 -0.361569
H 6.318783 -2.529543 0.442094
H 7.284272 1.646478 -0.283731
H 8.032487 -0.720943 0.119116


