%chk=000215916.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215916

0 1
O -2.246521 -4.694815 -1.250452
O 0.842082 -0.778451 2.352007
O -4.386320 2.837292 0.222288
N -0.137813 -3.190576 -0.047206
N 0.936271 -0.545912 0.081035
C 0.959673 0.942486 0.142986
C 0.059236 -4.629807 -0.425073
C -1.570951 -2.952382 0.333563
C 0.773795 -2.817209 1.077431
C 1.794135 1.503269 -1.027997
C -0.873792 -4.954106 -1.603553
C -2.462981 -3.322616 -0.860604
C 0.831566 -1.296488 1.242986
C -0.466748 1.461381 0.158098
C 3.256048 1.182313 -0.876111
C -1.164647 1.793573 -1.014923
C -1.112862 1.571376 1.398492
C 4.046621 1.914275 0.024104
C 3.839012 0.156003 -1.634219
C -2.475424 2.253040 -0.956129
C -2.429018 2.029752 1.487730
C -3.097846 2.372028 0.304431
C 5.405424 1.621110 0.160779
C 5.199853 -0.131489 -1.494262
C 5.985748 0.599368 -0.598428
C -5.138051 3.021107 1.466384
C -6.475601 3.546627 0.984537
H 1.463963 1.229873 1.113743
H 1.116973 -4.773002 -0.731768
H -0.140779 -5.329352 0.415227
H -1.881789 -3.529070 1.231364
H -1.696316 -1.874318 0.578946
H 0.492163 -3.259734 2.060720
H 1.804146 -3.180022 0.856555
H 1.410497 1.130194 -1.998806
H 1.651533 2.605514 -1.067600
H -0.887923 -6.032955 -1.838315
H -0.616202 -4.367921 -2.503199
H -2.278587 -2.668278 -1.730578
H -3.535421 -3.317397 -0.597293
H 0.803397 -0.981311 -0.829948
H -0.682464 1.692170 -1.987303
H -0.580763 1.276899 2.311011
H 3.601355 2.708556 0.620043
H 3.233986 -0.421250 -2.329170
H -3.029269 2.521323 -1.852099
H -2.905591 2.109736 2.458131
H 6.014175 2.189689 0.862162
H 5.648075 -0.928307 -2.085212
H 7.044175 0.373899 -0.490543
H -4.594797 3.744988 2.097555
H -5.217871 2.043611 1.971767
H -7.157684 3.732349 1.821694
H -6.959900 2.836113 0.299769
H -6.356768 4.485654 0.425460


%chk=000215916-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215916

0 1
O -1.345880 -4.831984 -1.721677
O 0.826444 -0.586008 2.664979
O -4.638741 3.132128 0.274628
N 0.154087 -3.161748 0.117421
N 0.682245 -0.512836 0.328736
C 0.725175 0.960343 0.207325
C 0.684868 -4.476120 -0.335405
C -1.336950 -3.173190 0.126491
C 0.718270 -2.701515 1.408470
C 1.570703 1.364210 -1.031761
C 0.125786 -4.805257 -1.729641
C -1.865699 -3.529767 -1.271434
C 0.731922 -1.163548 1.536087
C -0.686301 1.567374 0.214969
C 3.015815 0.888572 -0.963597
C -1.424769 1.821530 -0.971762
C -1.304894 1.848525 1.457586
C 3.895982 1.383530 0.033961
C 3.516767 -0.054842 -1.895325
C -2.731699 2.340181 -0.919069
C -2.616196 2.368612 1.530801
C -3.334541 2.616052 0.333654
C 5.236519 0.946026 0.099414
C 4.859108 -0.496037 -1.835632
C 5.724479 0.003091 -0.836054
C -5.314680 3.442445 1.549948
C -6.698930 3.979685 1.196362
H 1.242212 1.308909 1.121484
H 1.788697 -4.419940 -0.382308
H 0.406370 -5.294712 0.371402
H -1.723495 -3.913076 0.868341
H -1.702573 -2.171301 0.419668
H 0.180412 -3.104833 2.294818
H 1.768875 -3.041361 1.483936
H 1.099624 0.966135 -1.951884
H 1.531066 2.468073 -1.108797
H 0.437551 -5.810845 -2.056528
H 0.483330 -4.047395 -2.461019
H -1.572751 -2.738236 -1.995786
H -2.962725 -3.634832 -1.266452
H 0.578786 -1.126891 -0.492195
H -0.981014 1.624611 -1.954338
H -0.753934 1.637838 2.381951
H 3.531695 2.116981 0.764347
H 2.852686 -0.442521 -2.678545
H -3.303183 2.543853 -1.830058
H -3.057951 2.573020 2.510511
H 5.900910 1.340071 0.876804
H 5.228385 -1.223299 -2.567921
H 6.765679 -0.334916 -0.787085
H -4.721072 4.195206 2.108724
H -5.384869 2.521368 2.164829
H -7.256005 4.230444 2.117402
H -7.275709 3.227469 0.631693
H -6.616684 4.889530 0.577741


