%chk=000203032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203032

0 1
O -1.976202 2.380611 1.416108
N -0.394222 1.509533 -0.105323
N 2.355477 0.826391 -0.789384
N 4.162612 -2.973971 -0.183938
C 0.631221 1.336004 0.969981
C -0.107746 0.628640 -1.280572
C -1.796638 1.393045 0.383083
C 2.020656 1.675063 0.394177
C 1.293435 0.974895 -1.828864
C -2.200065 0.093194 1.112950
C 2.877517 -0.470291 -0.551946
C -2.587091 -1.002023 0.165155
C -1.922801 3.765945 0.967548
C 3.571446 -0.769229 0.645623
C 2.839703 -1.468329 -1.555646
C -3.735072 -0.872774 -0.633203
C -1.813818 -2.170436 0.079758
C -2.297063 4.560750 2.205472
C 4.193849 -2.013070 0.779296
C 3.492087 -2.683556 -1.332026
C -4.096885 -1.896810 -1.511827
C -2.182080 -3.192183 -0.799583
C -3.321312 -3.057392 -1.599124
H 0.636060 0.311276 1.401105
H 0.372857 2.036453 1.797544
H -0.873028 0.820739 -2.062747
H -0.162934 -0.454819 -1.032930
H -2.477577 1.617193 -0.473399
H 2.047427 2.736234 0.053566
H 2.802224 1.571676 1.177492
H 1.528465 0.345618 -2.714466
H 1.319262 2.035229 -2.172631
H -1.392105 -0.225686 1.801223
H -3.051489 0.330471 1.792952
H -0.899437 3.980248 0.613162
H -2.641044 3.900087 0.141415
H 3.637499 -0.039835 1.448131
H 2.324910 -1.293668 -2.496308
H -4.350705 0.021702 -0.561362
H -0.927790 -2.287759 0.701449
H -2.273937 5.638087 2.011836
H -3.302671 4.296181 2.558413
H -1.609519 4.346242 3.034558
H 4.743923 -2.271550 1.692125
H 3.485962 -3.473364 -2.092769
H -4.988732 -1.791816 -2.127983
H -1.578926 -4.097466 -0.859712
H -3.605807 -3.854182 -2.282880


%chk=000203032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203032

0 1
O -2.114021 2.585528 1.315581
N -0.717484 1.010780 0.136675
N 1.935978 0.033905 -0.367835
N 5.850976 -1.623496 -1.085009
C 0.078249 0.452308 1.241234
C -0.417505 0.349526 -1.145094
C -2.097620 1.413500 0.425480
C 1.583572 0.612505 0.947997
C 1.078413 0.521052 -1.474497
C -3.004388 0.383001 1.160354
C 3.219147 -0.479302 -0.609842
C -3.286565 -0.862849 0.334804
C -1.515452 3.794171 0.716655
C 4.235011 -0.511052 0.400147
C 3.596469 -1.033988 -1.876025
C -4.116245 -0.789058 -0.815819
C -2.730960 -2.120486 0.682265
C -1.528534 4.885704 1.786525
C 5.490909 -1.082125 0.118229
C 4.881660 -1.578352 -2.051221
C -4.374128 -1.934133 -1.601279
C -2.987392 -3.270916 -0.098412
C -3.806856 -3.181026 -1.246958
H -0.134590 -0.631832 1.401400
H -0.167923 1.000596 2.167961
H -1.018807 0.816412 -1.947274
H -0.661552 -0.737611 -1.124493
H -2.556762 1.674293 -0.555830
H 1.851538 1.692212 0.984228
H 2.141919 0.088937 1.740514
H 1.303524 -0.031931 -2.398386
H 1.283832 1.599399 -1.657974
H -2.530100 0.122734 2.123473
H -3.944939 0.912610 1.400038
H -0.486601 3.562878 0.374927
H -2.115420 4.095872 -0.170958
H 4.075214 -0.083319 1.392598
H 2.904428 -1.067968 -2.721062
H -4.576452 0.169460 -1.088709
H -2.099440 -2.201015 1.575967
H -1.102787 5.823963 1.385728
H -2.559004 5.086300 2.127582
H -0.931226 4.576421 2.662009
H 6.263044 -1.100750 0.897084
H 5.159051 -2.008225 -3.021384
H -5.021169 -1.857812 -2.482697
H -2.551142 -4.234072 0.189761
H -4.007975 -4.071446 -1.852959


