%chk=000238370.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238370

0 1
O 0.527005 -1.070972 -1.358172
N -1.849633 -0.906098 1.448948
N 3.236716 -1.011261 -0.285769
C -1.283508 -1.227502 0.102426
C 0.142201 -0.595524 -0.054182
C -2.223206 -0.795876 -1.042971
C -3.600666 -1.449066 -0.877402
C 1.109999 -1.167460 1.005260
C -4.189457 -1.174276 0.514072
C -3.185801 -1.552050 1.619712
C 0.111800 0.929029 -0.073335
C 2.524756 -0.571478 0.962120
C 0.042103 1.669692 1.115389
C 0.142138 1.604450 -1.302315
C 0.001644 3.066372 1.073361
C 0.104112 3.000106 -1.342458
C 4.345305 -0.069472 -0.622704
C 3.756938 -2.404185 -0.151947
C 0.033006 3.734681 -0.154320
H -1.147825 -2.341045 0.048287
H -1.766173 -1.080794 -2.012173
H -2.320570 0.305283 -1.070333
H -3.518947 -2.541243 -1.040481
H -4.288802 -1.075327 -1.658297
H 0.676399 -1.015924 2.015804
H 1.156546 -2.267815 0.871076
H -1.963579 0.113486 1.534423
H -4.461756 -0.105560 0.600435
H -5.129145 -1.739566 0.647984
H -3.578526 -1.265378 2.617694
H -3.037924 -2.653604 1.642128
H 3.069704 -0.852186 1.888766
H 2.460808 0.540376 0.963442
H 1.522637 -1.037645 -1.457301
H 0.021613 1.158989 2.078136
H 0.195357 1.023427 -2.226876
H -0.054013 3.634158 2.000001
H 0.128295 3.515615 -2.300632
H 5.126298 0.019043 0.146126
H 3.921388 0.931970 -0.806153
H 4.822414 -0.394196 -1.561320
H 4.521561 -2.538418 0.626671
H 4.184867 -2.722011 -1.116095
H 2.915800 -3.082890 0.068601
H 0.001620 4.821342 -0.185425


%chk=000238370-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238370

0 1
O 0.710434 -1.017444 -1.286278
N -1.900931 -0.756580 1.409128
N 3.173103 -1.068770 -0.316491
C -1.242514 -1.162146 0.130770
C 0.186609 -0.534884 0.002230
C -2.145023 -0.906592 -1.103478
C -3.494724 -1.646002 -0.926805
C 1.105962 -1.085241 1.135144
C -4.180820 -1.258086 0.406949
C -3.203928 -1.453576 1.597601
C 0.128140 1.011834 0.006937
C 2.573467 -0.627179 0.994065
C 0.014056 1.765233 1.207474
C 0.167171 1.713236 -1.225682
C -0.058672 3.177160 1.173636
C 0.092216 3.123476 -1.261684
C 4.266196 -0.172739 -0.768032
C 3.601705 -2.490486 -0.288741
C -0.020602 3.863899 -0.061567
H -1.075285 -2.258366 0.197745
H -1.621345 -1.245881 -2.014584
H -2.325938 0.182741 -1.208435
H -3.312361 -2.741449 -0.935693
H -4.165110 -1.428235 -1.780489
H 0.715937 -0.788411 2.124420
H 1.044948 -2.190314 1.101278
H -2.049752 0.266463 1.407880
H -4.492204 -0.193565 0.365636
H -5.097754 -1.860780 0.564514
H -3.657827 -1.095502 2.540889
H -2.991257 -2.534200 1.724725
H 3.184226 -1.002427 1.847403
H 2.614461 0.477131 1.019495
H 1.742576 -1.020932 -1.162475
H -0.014939 1.251620 2.175102
H 0.267372 1.124490 -2.142996
H -0.142553 3.738963 2.111513
H 0.122200 3.645367 -2.225607
H 5.123965 -0.151224 -0.056617
H 3.876895 0.853623 -0.881131
H 4.639841 -0.512638 -1.750068
H 4.436443 -2.663984 0.428752
H 3.933336 -2.795879 -1.296486
H 2.751467 -3.130822 -0.001701
H -0.075689 4.958296 -0.088048


