%chk=000185461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185461

0 1
O 3.935646 1.148408 0.629281
N -2.974991 -0.255661 -0.386288
N 0.275552 -0.085027 -0.709843
N 2.667320 -0.514123 -0.269160
N -0.237743 -2.080267 -1.629568
N 1.067344 -2.148395 -1.290498
C -3.018570 -1.501499 0.451284
C -4.360751 0.182105 -0.773515
C -3.829540 -1.240020 1.730341
C -5.182098 0.474407 0.492910
C -5.247643 -0.758764 1.401952
C -2.156978 -0.461521 -1.630215
C -0.760504 -0.872809 -1.312213
C 1.426058 -0.952341 -0.733488
C 0.345706 1.220079 -0.150530
C 1.618717 1.653798 0.292060
C 3.811071 -1.480288 -0.273490
C 2.830858 0.804546 0.255792
C -0.773256 2.062566 -0.026948
C 3.705084 -2.466217 0.898772
C 1.753562 2.953993 0.818315
C -0.611038 3.340877 0.498358
C 0.651236 3.795096 0.913184
C 4.910579 -3.399796 0.923287
H -1.973761 -1.769436 0.724723
H -3.437508 -2.371398 -0.098992
H -4.888335 -0.570959 -1.398572
H -4.273895 1.107832 -1.381640
H -3.310223 -0.478789 2.346646
H -3.864233 -2.162386 2.339014
H -6.198809 0.801058 0.207947
H -4.723484 1.319069 1.044910
H -5.820809 -1.567168 0.909590
H -5.794271 -0.518438 2.332593
H -2.141430 0.501215 -2.196880
H -2.593338 -1.229061 -2.321003
H 4.754242 -0.886087 -0.208138
H 3.815914 -2.023259 -1.246594
H -1.772106 1.709014 -0.300908
H 3.631469 -1.914238 1.856660
H 2.769596 -3.058114 0.810446
H 2.744624 3.283422 1.152179
H -1.478712 3.997023 0.593728
H 0.761897 4.801080 1.315940
H 5.851389 -2.849896 1.044333
H 4.838632 -4.109280 1.756707
H 4.985631 -3.990651 0.002131


%chk=000185461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185461

0 1
O 4.007661 1.178010 0.598807
N -3.033506 -0.299275 -0.395012
N 0.291799 -0.203636 -0.596431
N 2.678167 -0.549662 -0.243793
N -0.218032 -2.188907 -1.538563
N 1.168491 -2.215841 -1.208522
C -3.184169 -1.459397 0.527828
C -4.354146 0.194346 -0.875304
C -4.037005 -1.072741 1.752221
C -5.243414 0.624754 0.307985
C -5.418435 -0.536083 1.313309
C -2.131991 -0.588444 -1.542964
C -0.731938 -0.992963 -1.179642
C 1.438405 -1.010267 -0.663499
C 0.340196 1.103985 -0.038081
C 1.625275 1.593898 0.342229
C 3.841776 -1.472639 -0.341619
C 2.861516 0.765974 0.249963
C -0.819498 1.890715 0.157201
C 3.955292 -2.410793 0.880245
C 1.734435 2.904950 0.869373
C -0.682528 3.189791 0.683660
C 0.592040 3.708770 1.027247
C 5.176090 -3.344797 0.744147
H -2.177943 -1.787291 0.844863
H -3.658609 -2.324613 -0.001766
H -4.883993 -0.596206 -1.467295
H -4.179747 1.051067 -1.554900
H -3.501717 -0.294145 2.329781
H -4.151334 -1.955839 2.409049
H -6.224896 0.962551 -0.076044
H -4.769554 1.486560 0.817634
H -5.995367 -1.353904 0.833902
H -6.002345 -0.202101 2.191420
H -2.104177 0.319484 -2.179255
H -2.511472 -1.424660 -2.175539
H 4.738399 -0.835126 -0.420152
H 3.719200 -2.064549 -1.265173
H -1.806372 1.446002 -0.030510
H 4.045765 -1.800393 1.798538
H 3.030000 -3.010881 0.962513
H 2.732810 3.253650 1.152152
H -1.579531 3.798982 0.840933
H 0.683582 4.721803 1.431673
H 6.116582 -2.767317 0.670548
H 5.258905 -4.013593 1.619211
H 5.093433 -3.979525 -0.157766


