%chk=000205834.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205834

0 1
O -3.031425 -2.433362 -1.013688
O -0.009930 2.063902 -0.448337
O -3.954197 1.740573 0.741097
O 4.051567 -1.610407 0.176799
N -1.975366 0.458800 0.798271
N -3.837769 -0.401937 -0.227210
C -1.512312 -0.815963 0.156235
C -0.517636 -0.563227 -0.995438
C -2.842100 -1.386881 -0.452206
C -0.990970 -1.775014 1.215669
C 0.837720 -0.120871 -0.529062
C -3.318474 0.752151 0.467205
C 1.104538 1.253588 -0.269652
C 1.871442 -1.032813 -0.360724
C 3.144815 -0.578068 0.054583
C 2.361128 1.697456 0.133787
C 3.401133 0.771040 0.300588
C 0.167715 3.494242 -0.318558
C 5.400100 -1.276294 0.583094
H -0.931686 0.204303 -1.691175
H -0.430601 -1.492790 -1.602979
H -1.297650 1.222218 0.905540
H -0.056359 -1.408883 1.664487
H -1.707197 -1.903594 2.039373
H -0.787909 -2.767272 0.790230
H -4.816190 -0.498118 -0.481395
H 1.727501 -2.097638 -0.544999
H 2.554905 2.750240 0.323770
H 4.380020 1.118391 0.615435
H 0.881486 3.858490 -1.062801
H 0.470439 3.750937 0.700431
H -0.845150 3.864160 -0.532700
H 5.881341 -2.263632 0.589084
H 5.398661 -0.836322 1.584267
H 5.868711 -0.618206 -0.154024


%chk=000205834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205834

0 1
O -2.813256 -2.723082 -0.795602
O 0.017034 2.109980 -0.166148
O -4.393025 1.620568 0.151308
O 4.179471 -1.692519 -0.041987
N -2.260507 0.590024 0.443412
N -3.935901 -0.676318 -0.350481
C -1.629370 -0.717114 0.154804
C -0.522366 -0.609840 -0.953194
C -2.836471 -1.531822 -0.400958
C -1.108905 -1.412583 1.434904
C 0.848032 -0.139974 -0.483461
C -3.599773 0.648574 0.103393
C 1.118847 1.215766 -0.119556
C 1.916054 -1.057095 -0.430994
C 3.221444 -0.665505 -0.040670
C 2.415221 1.616479 0.262065
C 3.475552 0.680179 0.304452
C 0.290378 3.544054 -0.016376
C 5.546883 -1.335978 0.340524
H -0.907573 0.064237 -1.741961
H -0.420917 -1.618566 -1.392978
H -1.672220 1.428607 0.508075
H -0.273429 -0.839973 1.871969
H -1.914218 -1.488448 2.185295
H -0.753759 -2.429259 1.192230
H -4.882822 -0.925386 -0.636377
H 1.752502 -2.103922 -0.707521
H 2.622014 2.655636 0.533561
H 4.472590 1.015494 0.603638
H 1.019782 3.885871 -0.774238
H 0.663799 3.778561 0.998904
H -0.677850 4.040790 -0.178549
H 6.119344 -2.272100 0.267572
H 5.588758 -0.953741 1.379486
H 5.974953 -0.582395 -0.349543


