%chk=000214124.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214124

0 1
O -1.154387 0.703537 -0.446979
O -0.168518 0.599312 1.567905
N -4.510331 -0.000709 -0.094593
C 2.196891 1.107275 -0.409710
C 1.126624 -0.038653 -0.451995
C 2.775772 1.295110 1.005967
C 1.625668 2.441000 -0.931744
C 3.845173 2.394562 1.022320
C 2.702795 3.534481 -0.926501
C 3.297059 3.720041 0.476352
C 1.730491 -1.322769 0.115543
C 0.679021 -0.308287 -1.899451
C -0.083084 0.429540 0.370814
C 1.332837 -1.877931 1.338982
C 2.740218 -1.967613 -0.622942
C -2.385118 1.193093 0.176303
C 1.916304 -3.060937 1.804930
C 3.322516 -3.146575 -0.155131
C -3.216486 -0.004418 0.658928
C 2.909345 -3.701202 1.060768
C -5.679382 -0.195868 0.827567
C -4.514577 -1.008763 -1.206534
C -6.963337 0.287117 0.150965
C -3.554841 -0.587803 -2.319030
H 3.029810 0.794894 -1.087581
H 3.210788 0.345420 1.371983
H 1.963364 1.544210 1.720300
H 0.770475 2.763337 -0.306241
H 1.224477 2.314722 -1.954454
H 4.214262 2.537101 2.055508
H 4.721511 2.076599 0.425891
H 3.505636 3.277197 -1.643390
H 2.268745 4.487687 -1.281790
H 2.521190 4.112608 1.161904
H 4.098731 4.480509 0.451254
H 0.128817 0.547003 -2.317939
H 0.005560 -1.173351 -1.948688
H 1.529230 -0.508366 -2.559599
H 0.576774 -1.388593 1.959291
H 3.076453 -1.547426 -1.570022
H -2.124634 1.885339 0.993208
H -2.856318 1.735944 -0.665911
H 1.593463 -3.479462 2.757248
H 4.101305 -3.634648 -0.738604
H -3.381761 0.078960 1.754425
H -2.631041 -0.940045 0.515706
H 3.361049 -4.621320 1.424423
H -5.795267 -1.249956 1.160087
H -5.504758 0.411721 1.744203
H -4.262145 -2.032772 -0.854025
H -5.548644 -1.058696 -1.617714
H -6.834059 1.300804 -0.253185
H -7.252770 -0.355121 -0.688550
H -7.796353 0.310691 0.860545
H -3.594168 -1.289252 -3.157547
H -2.514197 -0.537014 -1.967613
H -3.806976 0.410237 -2.699354


%chk=000214124-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214124

0 1
O -0.857424 0.320846 -1.396789
O -0.459151 0.464664 0.882647
N -4.480741 -0.268938 -0.461551
C 2.299126 1.236052 -0.243425
C 1.441342 -0.048538 -0.646127
C 2.484099 1.428816 1.284690
C 1.756103 2.547423 -0.875438
C 3.421688 2.623130 1.587316
C 2.690859 3.745301 -0.577470
C 2.905471 3.930641 0.942689
C 1.956732 -1.303343 0.110008
C 1.591030 -0.322058 -2.172982
C -0.024232 0.252118 -0.276899
C 1.131033 -2.128234 0.914586
C 3.317918 -1.681844 -0.049110
C -2.293171 0.645350 -1.132873
C 1.644751 -3.292685 1.531548
C 3.835797 -2.838371 0.570543
C -3.089205 -0.634311 -0.812631
C 2.998695 -3.655667 1.365025
C -4.644858 0.049969 0.984416
C -5.505493 -1.207880 -0.986848
C -5.781412 1.054644 1.252468
C -5.722295 -1.067532 -2.505544
H 3.306204 1.054341 -0.680184
H 2.894527 0.507210 1.736215
H 1.496655 1.599195 1.753193
H 0.752820 2.766719 -0.454794
H 1.631527 2.438167 -1.968884
H 3.520363 2.749619 2.683051
H 4.438600 2.403157 1.198601
H 3.672795 3.572544 -1.065963
H 2.270712 4.668059 -1.023302
H 1.942175 4.213605 1.414937
H 3.613594 4.761141 1.131588
H 1.207558 0.513041 -2.779131
H 1.035598 -1.229229 -2.464054
H 2.655957 -0.477929 -2.419711
H 0.085561 -1.857065 1.085806
H 3.988406 -1.067571 -0.661510
H -2.349550 1.362751 -0.296091
H -2.650264 1.110171 -2.063795
H 0.983395 -3.911861 2.148615
H 4.890809 -3.101491 0.432345
H -2.577516 -1.190497 0.006643
H -3.087640 -1.289367 -1.701476
H 3.396317 -4.556278 1.846053
H -4.811630 -0.879569 1.584713
H -3.692787 0.482136 1.344732
H -5.255561 -2.269876 -0.736012
H -6.458039 -0.981897 -0.473987
H -5.592528 1.996468 0.708442
H -6.762667 0.664855 0.925579
H -5.852765 1.276730 2.333663
H -6.503768 -1.769427 -2.852127
H -4.800648 -1.287297 -3.075134
H -6.035669 -0.037609 -2.749768


