%chk=000217904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217904

0 1
O 5.406124 -0.848588 -0.130466
O 1.478844 1.832422 0.065739
O -7.243141 0.447278 0.266463
O -6.909486 -1.678054 0.047294
N 1.317624 -0.402717 -0.356712
N -0.035661 -0.551538 -0.281518
N -6.516846 -0.525359 0.135955
C 3.595009 0.708722 -0.290392
C 3.246211 -1.814972 0.285109
C 4.213470 -0.685357 -0.053705
C 3.969872 1.122058 -1.738857
C 4.215405 1.665632 0.757624
C 2.005396 -1.706169 -0.613499
C 2.069952 0.793687 -0.161342
C 3.908695 -3.179059 0.124143
C 3.598027 2.554472 -2.097529
C 3.977407 1.217873 2.195155
C -0.856425 0.441522 -0.067078
C -2.305713 0.150853 -0.021008
C -3.192095 1.236214 0.130070
C -2.815887 -1.156901 -0.119566
C -4.566687 1.020205 0.181331
C -4.189600 -1.382424 -0.069128
C -5.059178 -0.290965 0.081515
H 2.945381 -1.682881 1.359858
H 3.488218 0.422152 -2.451083
H 5.066544 0.981194 -1.868162
H 3.789149 2.681967 0.610076
H 5.304534 1.749680 0.560320
H 2.277137 -1.765137 -1.691675
H 1.307409 -2.554869 -0.416948
H 4.874256 -3.208327 0.654086
H 3.284488 -3.984835 0.526041
H 4.129860 -3.412790 -0.924913
H 2.559604 2.796382 -1.826219
H 4.236796 3.284600 -1.585676
H 3.703968 2.729884 -3.174849
H 2.909350 1.114480 2.422471
H 4.473571 0.268623 2.425936
H 4.376719 1.960505 2.899660
H -0.579632 1.501314 0.086571
H -2.804402 2.253581 0.207088
H -2.129566 -1.999554 -0.237751
H -5.265335 1.856270 0.298104
H -4.597567 -2.396475 -0.145235


%chk=000217904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217904

0 1
O 5.495438 -0.821245 0.048553
O 1.502167 1.819638 0.440497
O -7.343109 0.530713 0.205210
O -7.005299 -1.653293 -0.366494
N 1.338548 -0.425039 -0.198423
N -0.050186 -0.574236 -0.201076
N -6.573306 -0.471815 -0.067058
C 3.600230 0.694270 -0.170356
C 3.308408 -1.884119 0.300179
C 4.244745 -0.695547 0.069812
C 3.851516 1.006333 -1.708143
C 4.315149 1.754042 0.722068
C 2.027543 -1.696929 -0.538263
C 2.074910 0.747973 0.077305
C 3.987054 -3.239254 0.030411
C 3.376334 2.393339 -2.186725
C 4.236946 1.460649 2.235505
C -0.880456 0.421082 0.069040
C -2.326706 0.153650 0.025436
C -3.221909 1.222823 0.316174
C -2.860837 -1.129439 -0.296292
C -4.614100 1.027768 0.288620
C -4.247270 -1.339138 -0.327757
C -5.109627 -0.254737 -0.034359
H 3.009090 -1.830074 1.371401
H 3.366239 0.223369 -2.325717
H 4.941887 0.903560 -1.864339
H 3.855684 2.736208 0.521803
H 5.372576 1.790488 0.401782
H 2.264830 -1.729318 -1.620113
H 1.306177 -2.501086 -0.328395
H 4.944081 -3.300660 0.573079
H 3.339463 -4.073992 0.351632
H 4.210398 -3.363154 -1.044851
H 2.299115 2.551101 -2.004653
H 3.924799 3.208774 -1.685610
H 3.557205 2.488065 -3.273090
H 3.189003 1.437596 2.584261
H 4.722460 0.501326 2.493262
H 4.756510 2.253331 2.802919
H -0.544833 1.432244 0.326525
H -2.817185 2.210543 0.564570
H -2.165488 -1.943883 -0.518017
H -5.316562 1.835604 0.508624
H -4.679833 -2.312931 -0.571641


