%chk=000216532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216532

0 1
O -5.790483 0.845889 1.283533
O -6.706636 0.843860 -0.906089
N -0.830705 -0.867837 0.693678
N 1.686217 0.475330 1.290292
N 3.710107 -0.623767 0.667161
N 3.017557 1.480114 -0.432546
N 6.442521 0.331282 -1.448665
N 5.985570 -1.402753 -0.011591
C -0.410107 0.345783 -0.082673
C 0.369352 -1.656443 1.133647
C 0.495906 1.229500 0.797534
C 1.270775 -0.765091 2.010789
C -1.745335 -1.735277 -0.122007
C -3.056363 -1.030802 -0.382629
C 2.822183 0.407998 0.463911
C -3.730014 -0.414513 0.706070
C -3.596081 -1.025346 -1.669775
C -4.935052 0.178741 0.415041
C -5.485699 0.178027 -0.901882
C -4.839009 -0.415177 -1.961235
C 4.882347 -0.528312 -0.018219
C 5.159385 0.573977 -0.929436
C 4.170542 1.560155 -1.107022
C -6.932049 1.280476 0.474081
C 6.887853 -0.866195 -0.861257
H -1.328053 0.915560 -0.351060
H 0.107489 0.099442 -1.034295
H 0.960255 -2.070841 0.287755
H 0.014891 -2.520082 1.737107
H 0.810523 2.139927 0.239576
H -0.060196 1.576408 1.699651
H 0.723420 -0.436754 2.924416
H 2.165069 -1.337756 2.351402
H -1.958236 -2.658111 0.470806
H -1.282408 -2.077050 -1.074658
H -3.292415 -0.410108 1.703686
H -3.058651 -1.502129 -2.488428
H -5.251751 -0.418609 -2.965265
H 4.300008 2.405910 -1.791626
H -6.951589 2.377972 0.481557
H -7.826139 0.765575 0.848996
H 6.924170 0.920645 -2.098495
H 7.858530 -1.298515 -1.081135


%chk=000216532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216532

0 1
O -5.510818 1.394222 1.498261
O -6.970869 1.088291 -0.381015
N -0.940755 -1.077746 0.255928
N 1.683747 0.050120 0.473987
N 3.953836 -0.559520 0.678108
N 3.255664 1.381735 -0.683754
N 6.977620 0.788976 -0.634291
N 6.394218 -0.969627 0.721455
C -0.500551 -0.010684 -0.678589
C 0.207201 -1.919285 0.677929
C 0.568246 0.879458 -0.016018
C 1.284153 -1.055578 1.362863
C -2.068636 -1.877638 -0.277404
C -3.369142 -1.084678 -0.370511
C 3.005663 0.291056 0.151142
C -3.730532 -0.206138 0.694569
C -4.233982 -1.252969 -1.478590
C -4.955071 0.450906 0.592208
C -5.817039 0.271127 -0.512749
C -5.482603 -0.574499 -1.570866
C 5.230376 -0.270051 0.330091
C 5.579258 0.837792 -0.522549
C 4.541335 1.650741 -1.016857
C -6.881956 1.657844 0.989674
C 7.399727 -0.304861 0.126562
H -1.375170 0.607749 -0.948030
H -0.082436 -0.446741 -1.621755
H 0.670577 -2.452642 -0.190885
H -0.154960 -2.682105 1.392584
H 0.968768 1.617394 -0.726633
H 0.108691 1.415159 0.840122
H 0.865313 -0.634963 2.300293
H 2.179728 -1.648179 1.602642
H -2.209521 -2.732844 0.414468
H -1.837602 -2.316673 -1.281522
H -3.049321 -0.057606 1.536381
H -3.937032 -1.924771 -2.292166
H -6.144716 -0.702063 -2.430959
H 4.708350 2.512560 -1.673901
H -7.042596 2.745757 0.936633
H -7.613622 1.143509 1.641638
H 7.573582 1.423419 -1.163182
H 8.450575 -0.574851 0.215389


