%chk=000219837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219837

0 1
O -6.743733 -0.872961 -0.779258
O -6.978099 1.206744 -0.236073
N 4.013579 -0.011287 0.944020
N 2.657499 -1.763511 0.116112
N -0.687699 0.640717 0.383843
N 0.233576 -1.631410 -0.134144
N -0.134621 1.852232 0.790587
N -6.299823 0.208916 -0.426442
C 4.989951 1.854885 -0.400320
C 5.864639 -0.509243 -0.664548
C 6.208894 0.984343 -0.736228
C 4.371520 1.436799 0.943980
C 5.211952 -0.870862 0.678565
C 2.765143 -0.439677 0.514223
C 1.573120 0.339584 0.573832
C 0.337547 -0.325620 0.240399
C 1.188796 1.689020 0.907527
C 1.432914 -2.301974 -0.172562
C -2.099065 0.522621 0.178614
C 1.393782 -3.738562 -0.568174
C -2.655690 -0.706364 -0.227487
C -2.924468 1.651370 0.387572
C -4.029149 -0.805474 -0.424067
C -4.294791 1.546115 0.189724
C -4.846731 0.317767 -0.216528
H 5.280013 2.921776 -0.363427
H 4.233671 1.772102 -1.206219
H 5.179700 -0.782614 -1.493098
H 6.774715 -1.120512 -0.812138
H 5.102415 1.590593 1.772685
H 3.491932 2.069058 1.190868
H 4.924451 -1.948235 0.697580
H 5.919396 -0.712348 1.522200
H 6.582137 1.235689 -1.747630
H 7.039235 1.213774 -0.040530
H 1.856094 2.486202 1.216459
H 0.751388 -3.896419 -1.449743
H 2.396897 -4.131717 -0.798890
H 0.975206 -4.353783 0.245917
H -2.023507 -1.589339 -0.391281
H -2.487876 2.604095 0.704228
H -4.479800 -1.754145 -0.740029
H -4.951913 2.409853 0.346582


%chk=000219837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219837

0 1
O -6.889482 -1.015167 -0.481513
O -7.099306 1.231212 -0.136352
N 4.003621 -0.024490 0.550643
N 2.558783 -1.792380 0.040479
N -0.735011 0.634042 0.270923
N 0.131171 -1.648187 -0.085804
N -0.200145 1.915393 0.526463
N -6.388987 0.155608 -0.251283
C 5.287299 1.981483 -0.178626
C 6.082684 -0.365959 -0.770583
C 6.518159 1.085585 -0.457143
C 4.399904 1.349411 0.921863
C 5.163473 -0.929333 0.338338
C 2.713215 -0.453275 0.338143
C 1.525615 0.371162 0.401015
C 0.285053 -0.322475 0.181338
C 1.136809 1.745195 0.599078
C 1.320298 -2.327481 -0.150946
C -2.145261 0.494616 0.137697
C 1.243052 -3.805282 -0.445450
C -2.728425 -0.777164 -0.114996
C -2.960783 1.652452 0.263488
C -4.123375 -0.884881 -0.241451
C -4.353393 1.541440 0.136033
C -4.922925 0.272353 -0.115746
H 5.605271 2.990530 0.146181
H 4.689930 2.102115 -1.103128
H 5.540701 -0.397333 -1.735590
H 6.967910 -1.022376 -0.869905
H 4.982344 1.290641 1.865525
H 3.515685 1.963223 1.126671
H 4.769337 -1.923199 0.082890
H 5.724854 -1.002982 1.293251
H 7.112631 1.499742 -1.292321
H 7.176251 1.084612 0.436526
H 1.739193 2.632092 0.781170
H 0.539416 -3.996147 -1.273148
H 2.239710 -4.196895 -0.696288
H 0.860606 -4.349320 0.438301
H -2.079978 -1.651077 -0.209003
H -2.485830 2.615486 0.458496
H -4.601382 -1.848404 -0.435594
H -5.005494 2.413615 0.227057


