%chk=000214983.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214983

0 1
O 0.327617 -0.065136 1.300962
O -1.661070 0.568006 2.188428
O -2.705808 0.904749 -1.941235
N -1.335167 0.478207 -0.149831
N -3.549428 1.345420 0.173586
C 0.944008 -0.254898 -0.044668
C -0.194621 0.118906 -1.038763
C 2.134895 0.679261 -0.103430
C 1.365582 -1.707894 -0.117672
C -0.981343 0.359534 1.214917
C 2.767315 0.930591 -1.330451
C 1.420165 -2.483910 1.047472
C 2.619998 1.276619 1.067175
C 1.723719 -2.272598 -1.351087
C -2.588687 0.905474 -0.728746
C 3.873161 1.782397 -1.382062
C 1.821204 -3.821362 0.977800
C 3.726313 2.129488 1.009370
C 2.125167 -3.609058 -1.414565
C 4.353349 2.384127 -0.213529
C 2.173136 -4.385654 -0.251575
C -4.925474 1.618611 -0.310577
C -5.866973 0.492011 0.020558
C -7.144424 0.687646 0.336237
H 0.068234 0.980071 -1.692280
H -0.482463 -0.725545 -1.703774
H 2.407333 0.462228 -2.244824
H 1.145651 -2.041057 2.008728
H 2.129337 1.075977 2.023459
H 1.697502 -1.676350 -2.261503
H 4.362936 1.977507 -2.335048
H 1.859507 -4.422197 1.885720
H 4.098559 2.594430 1.921548
H 2.402312 -4.046662 -2.372602
H -3.427820 1.232643 1.188229
H 5.214990 3.048565 -0.257534
H 2.485591 -5.427467 -0.304779
H -5.253793 2.583332 0.144086
H -4.910980 1.776821 -1.421075
H -5.431803 -0.508090 -0.038183
H -7.829055 -0.122296 0.549765
H -7.611369 1.659956 0.405254


%chk=000214983-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214983

0 1
O 0.438830 0.290408 1.358141
O -1.731682 0.506990 2.200215
O -2.606078 1.138543 -1.965126
N -1.236826 0.716114 -0.123447
N -3.577699 0.944596 0.168334
C 1.043880 0.073724 -0.032258
C -0.014542 0.772564 -0.949792
C 2.397636 0.791953 -0.038032
C 1.133656 -1.442158 -0.258824
C -0.942296 0.501792 1.228301
C 3.569664 0.176960 -0.538892
C 1.237982 -2.317312 0.850823
C 2.475808 2.120337 0.457734
C 1.181365 -1.983702 -1.568229
C -2.525964 0.950643 -0.715107
C 4.795702 0.881001 -0.555606
C 1.367225 -3.709575 0.653240
C 3.699812 2.819382 0.447610
C 1.314168 -3.376328 -1.765329
C 4.866072 2.202992 -0.064963
C 1.405518 -4.245379 -0.654431
C -4.963779 1.150791 -0.290031
C -5.855320 -0.026408 0.055552
C -7.012670 0.071984 0.754983
H 0.261096 1.820450 -1.161231
H -0.176067 0.253867 -1.904205
H 3.532291 -0.851520 -0.910278
H 1.202406 -1.902217 1.862278
H 1.583961 2.594494 0.882285
H 1.122335 -1.327355 -2.444485
H 5.694779 0.392362 -0.946884
H 1.436577 -4.374898 1.520841
H 3.746991 3.839884 0.843178
H 1.344399 -3.778981 -2.783678
H -3.379144 0.788734 1.167390
H 5.817751 2.745685 -0.074303
H 1.503378 -5.325917 -0.806430
H -5.372920 2.079596 0.152110
H -4.911229 1.292149 -1.385691
H -5.511514 -1.004092 -0.311968
H -7.635663 -0.805056 0.961086
H -7.372586 1.035306 1.138621


