%chk=000218049.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218049

0 1
O 6.792165 0.478887 1.093986
N 4.193200 0.187370 -0.055346
N 1.143089 -0.412629 -2.220092
N -1.017165 -1.210627 -1.663319
N -2.178329 -1.094556 -1.122872
C 5.423207 -0.229335 -0.807575
C 4.411232 0.001936 1.417903
C 2.992289 -0.576004 -0.520100
C 6.603832 0.630299 -0.327409
C 5.618699 0.853540 1.843266
C 2.416452 0.172911 -1.744650
C -0.026990 -0.238539 -1.472983
C -0.290175 0.884245 -0.648253
C -2.502747 -0.025983 -0.321039
C -1.550146 0.989173 -0.074975
C -3.861344 0.010385 0.254714
C -4.049310 0.402707 1.590813
C -4.970640 -0.345160 -0.530591
C -5.337860 0.450242 2.128082
C -6.255689 -0.294520 0.014865
C -6.442237 0.105568 1.341915
H 5.249865 -0.059006 -1.890843
H 5.666826 -1.306079 -0.676886
H 4.582075 -1.059109 1.700785
H 3.502015 0.347573 1.954443
H 3.205666 -1.635627 -0.772689
H 2.226058 -0.601229 0.286534
H 7.568647 0.279734 -0.733765
H 6.453487 1.699533 -0.559152
H 5.429492 1.932166 1.700318
H 5.926463 0.650645 2.883992
H 2.274411 1.250904 -1.496474
H 3.134350 0.150246 -2.595617
H 1.235749 -1.326369 -2.676341
H 0.468237 1.646875 -0.485792
H -1.808157 1.844221 0.550411
H -3.193808 0.657203 2.212699
H -4.822747 -0.669445 -1.561933
H -5.481625 0.753382 3.163739
H -7.113677 -0.570663 -0.596391
H -7.444657 0.144635 1.763524


%chk=000218049-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218049

0 1
O 7.012519 0.519370 0.954473
N 4.286797 0.150615 0.002517
N 1.131840 -0.544751 -2.020634
N -1.127765 -1.053293 -1.846174
N -2.360726 -0.901494 -1.301992
C 5.453542 0.001376 -0.909446
C 4.680012 -0.204310 1.393704
C 3.093141 -0.598408 -0.450354
C 6.621943 0.873140 -0.419015
C 5.854020 0.676713 1.849708
C 2.419198 0.064941 -1.682150
C -0.060277 -0.295871 -1.373426
C -0.228346 0.658884 -0.324316
C -2.581296 0.004996 -0.281026
C -1.509795 0.805339 0.213798
C -3.974364 0.079784 0.236529
C -4.300855 0.809763 1.413070
C -5.020730 -0.596675 -0.451511
C -5.630740 0.867885 1.881935
C -6.347577 -0.538919 0.019224
C -6.662526 0.195586 1.187604
H 5.172872 0.324192 -1.928905
H 5.787518 -1.065815 -0.964474
H 4.980278 -1.279151 1.474093
H 3.814416 -0.040120 2.063288
H 3.322919 -1.667665 -0.688796
H 2.361371 -0.606338 0.379341
H 7.522814 0.711224 -1.033514
H 6.327190 1.944049 -0.461168
H 5.535869 1.741606 1.866631
H 6.210461 0.379149 2.849566
H 2.295067 1.144516 -1.472977
H 3.070699 -0.014079 -2.570108
H 1.073966 -1.258334 -2.750701
H 0.606636 1.265292 0.038335
H -1.682563 1.542882 1.002318
H -3.521170 1.327162 1.983363
H -4.761947 -1.163524 -1.350296
H -5.860429 1.433888 2.791871
H -7.139083 -1.065496 -0.525980
H -7.694696 0.241392 1.552497


