%chk=000217365.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217365

0 1
O 3.915536 0.542402 0.830427
O 4.171951 3.150485 0.656208
N -0.251390 -0.153318 -1.071291
C 0.316268 -1.379624 -0.643243
C 1.595518 -1.073939 -0.074924
C -1.596366 0.018109 -1.650968
C 1.769126 0.358503 -0.151847
C 0.619014 0.884543 -0.749807
C -2.592110 0.518838 -0.629253
C -0.165837 -2.700185 -0.718400
C 2.401461 -2.116851 0.420210
C 2.942836 1.071096 0.321420
C 0.651511 -3.700653 -0.219973
C 1.922729 -3.412708 0.343232
C -3.332700 1.679584 -0.890638
C -2.790723 -0.184891 0.567231
C 2.951224 2.592621 0.170609
C -4.271745 2.130674 0.041929
C -3.727296 0.273468 1.497096
C -4.469886 1.429911 1.235561
H -1.944757 -0.960297 -2.066027
H -1.528598 0.711641 -2.523488
H 0.381980 1.915785 -0.962842
H -1.136606 -2.920721 -1.149396
H 3.377539 -1.875232 0.849204
H 0.321107 -4.738300 -0.255566
H 2.525024 -4.238845 0.719360
H -3.184514 2.233474 -1.815674
H -2.208349 -1.083059 0.777592
H 2.141282 3.068016 0.756755
H 2.877036 2.904767 -0.888403
H -4.848509 3.031945 -0.162497
H -3.877668 -0.271657 2.428637
H -5.200045 1.784526 1.961639
H 4.754653 2.425890 1.022028


%chk=000217365-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217365

0 1
O 3.932410 0.594382 0.728743
O 3.744218 3.208387 1.061602
N -0.380370 -0.494094 -0.734504
C 0.423006 -1.658411 -0.667325
C 1.724739 -1.260326 -0.212169
C -1.775817 -0.445794 -1.224073
C 1.683751 0.185143 -0.015634
C 0.379757 0.599486 -0.352192
C -2.660066 0.516563 -0.439361
C 0.104402 -3.000587 -0.966522
C 2.734713 -2.239959 -0.043321
C 2.768354 1.039567 0.442136
C 1.124779 -3.958630 -0.791366
C 2.421552 -3.582974 -0.335230
C -3.418653 1.499791 -1.118282
C -2.764192 0.415083 0.971951
C 2.537522 2.558592 0.599364
C -4.276054 2.367056 -0.401577
C -3.616106 1.281672 1.688935
C -4.376638 2.259530 1.003504
H -2.176434 -1.472925 -1.146104
H -1.780494 -0.172990 -2.297200
H -0.059581 1.595218 -0.331095
H -0.885009 -3.302806 -1.325488
H 3.726691 -1.940770 0.304545
H 0.915911 -5.010951 -1.013209
H 3.187820 -4.356221 -0.213063
H -3.340614 1.589620 -2.208978
H -2.173638 -0.338872 1.506420
H 1.714684 2.729704 1.324338
H 2.230080 2.984679 -0.378404
H -4.858254 3.124431 -0.937660
H -3.689345 1.195540 2.778553
H -5.038161 2.931654 1.560890
H 4.423730 2.476211 1.156679


