%chk=000218987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218987

0 1
O -0.983209 -1.922367 1.812984
O 1.594693 -0.509041 -0.167580
N -2.610092 0.100471 0.489030
C -3.006462 -0.079305 -0.964220
C -3.578614 1.066235 1.143149
C -1.173964 0.305071 0.793611
C -4.433139 0.475441 -0.989046
C -4.744615 1.090549 0.153233
C -2.140474 0.692974 -1.970563
C -2.999824 -1.580032 -1.284097
C -4.001076 0.473615 2.493036
C -3.036412 2.494644 1.318272
C -0.476715 -1.072001 0.768947
C 1.023641 -0.975444 1.090087
C 2.963984 -0.382295 -0.248652
C 3.388446 0.067889 -1.514479
C 3.863722 -0.654824 0.787413
C 4.754463 0.246280 -1.738479
C 5.228650 -0.467313 0.535070
C 5.677538 -0.022736 -0.706155
C 5.250272 0.719434 -3.066144
H -0.649222 0.996230 0.098464
H -1.074138 0.744509 1.811808
H -5.046704 0.337615 -1.861176
H -5.669360 1.567067 0.424304
H -2.530118 0.582473 -2.988312
H -2.117130 1.764518 -1.746277
H -1.105926 0.330031 -1.982679
H -3.643212 -2.133256 -0.588667
H -3.354039 -1.775561 -2.299857
H -1.988136 -2.002483 -1.189758
H -4.443704 -0.521938 2.361148
H -3.145402 0.357284 3.167205
H -4.740740 1.105392 2.993396
H -3.824037 3.172376 1.665416
H -2.227141 2.540174 2.053872
H -2.653714 2.897159 0.374222
H -0.641899 -1.596053 -0.206490
H 1.436431 -1.968680 1.344045
H 1.256800 -0.250530 1.885228
H -1.967547 -1.821181 1.858583
H 2.649802 0.262734 -2.285895
H 3.534268 -1.003454 1.758271
H 5.948015 -0.674771 1.328146
H 6.739689 0.116761 -0.883467
H 4.439086 0.919159 -3.778280
H 5.829755 1.648587 -2.966905
H 5.911007 -0.027204 -3.530562


%chk=000218987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218987

0 1
O -1.263571 -1.948742 1.269494
O 1.679431 -0.539878 -0.430911
N -2.620778 0.087698 0.251712
C -3.559507 -0.272698 -0.886579
C -3.241010 1.150607 1.142418
C -1.161671 0.151155 0.007836
C -4.876910 0.291003 -0.365998
C -4.706511 1.050418 0.739603
C -3.190340 0.393114 -2.247546
C -3.652164 -1.811348 -1.076221
C -3.012087 0.799109 2.634457
C -2.727265 2.598476 0.862725
C -0.527301 -1.264951 0.211880
C 0.935446 -1.201164 0.655403
C 3.064079 -0.368879 -0.261477
C 3.730521 0.276388 -1.333743
C 3.784827 -0.791855 0.881208
C 5.121605 0.509356 -1.283745
C 5.179519 -0.556844 0.928279
C 5.845973 0.084687 -0.134583
C 5.837418 1.197912 -2.434190
H -0.890138 0.551091 -0.986476
H -0.721080 0.827769 0.762084
H -5.824594 0.079870 -0.870447
H -5.489370 1.572723 1.297490
H -3.994090 0.207521 -2.983309
H -3.072151 1.485593 -2.140467
H -2.256510 -0.025865 -2.666189
H -3.977074 -2.300711 -0.142586
H -4.381165 -2.054024 -1.872091
H -2.677266 -2.239015 -1.368497
H -3.464959 -0.177367 2.877865
H -1.931987 0.743173 2.863387
H -3.459806 1.568647 3.290634
H -3.323607 3.327040 1.442544
H -1.670763 2.722844 1.164476
H -2.822541 2.854055 -0.206884
H -0.583527 -1.839246 -0.738136
H 1.325591 -2.224015 0.824203
H 1.023430 -0.620615 1.596766
H -2.159442 -1.467440 1.238392
H 3.138615 0.587948 -2.201203
H 3.287586 -1.292196 1.716894
H 5.744712 -0.881867 1.809388
H 6.927147 0.258359 -0.079924
H 5.135920 1.485649 -3.235738
H 6.355431 2.113641 -2.092337
H 6.605429 0.537078 -2.878662


