%chk=000201619.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201619

0 1
N 0.702536 0.072933 -0.162171
N 4.762589 1.004779 -0.905730
C -0.710818 -0.099612 0.294481
C -1.653364 0.162638 -0.894257
C -3.087537 0.104790 -0.446041
C 1.674039 -0.185719 0.947573
C 3.078910 -0.153336 0.408504
C -3.805009 -1.098768 -0.522178
C -3.715152 1.254213 0.058996
C 4.000472 -1.161347 0.715564
C -5.136568 -1.148712 -0.100710
C -5.046387 1.198539 0.479147
C 3.504766 0.916536 -0.410551
C -5.760104 -0.001810 0.400391
C 5.302213 -1.077602 0.211702
C 5.645979 0.018777 -0.593958
H -0.917124 -1.101982 0.728393
H -0.908761 0.644721 1.098744
H -1.466065 -0.566432 -1.707556
H -1.419665 1.154122 -1.340189
H 0.898677 -0.563443 -0.943888
H 1.478614 -1.138805 1.488448
H 1.552604 0.630886 1.700983
H -3.326814 -1.994881 -0.911184
H -3.164333 2.190902 0.122280
H 3.712540 -2.004712 1.341790
H -5.689811 -2.084282 -0.163914
H -5.529488 2.093421 0.868278
H 2.810343 1.724180 -0.682762
H -6.796785 -0.042502 0.726785
H 6.035221 -1.847344 0.438744
H 6.653083 0.127852 -1.011213


%chk=000201619-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201619

0 1
N 0.689612 -0.205318 -0.185024
N 4.690529 1.071837 -0.971541
C -0.717039 -0.244550 0.261711
C -1.671497 0.102978 -0.908847
C -3.127299 0.126711 -0.468537
C 1.688654 -0.459681 0.872577
C 3.112370 -0.251426 0.374289
C -3.930605 -1.040890 -0.535408
C -3.701970 1.311721 0.060340
C 4.174052 -1.087227 0.797504
C -5.270504 -1.027978 -0.085305
C -5.040759 1.330423 0.511851
C 3.429742 0.809617 -0.515656
C -5.830425 0.158962 0.441372
C 5.486457 -0.832004 0.339610
C 5.698062 0.255376 -0.538068
H -1.016346 -1.232546 0.693447
H -0.844090 0.503825 1.068790
H -1.530689 -0.643010 -1.716964
H -1.363980 1.084318 -1.314673
H 0.850301 -0.797864 -1.011474
H 1.607408 -1.479703 1.327089
H 1.481558 0.255689 1.695792
H -3.505178 -1.963813 -0.949990
H -3.097257 2.226071 0.110726
H 3.976483 -1.926423 1.475761
H -5.877242 -1.938604 -0.148937
H -5.469276 2.256407 0.912262
H 2.631178 1.464571 -0.879420
H -6.870000 0.172596 0.787665
H 6.326674 -1.461471 0.650052
H 6.699877 0.489408 -0.916492


