%chk=000229366.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229366

0 1
O -5.268482 -2.249309 0.336053
O 5.367855 -2.038514 0.460093
O -1.545446 2.857959 1.587654
O 1.327199 -0.396069 -1.793165
N -3.513698 -0.100270 -0.352089
N 3.548429 0.066913 -0.172464
C -2.951315 1.283173 -0.198588
C 2.905984 1.413184 0.004696
C -3.295894 -0.907116 0.894341
C -4.981462 -0.028829 -0.659798
C 3.335075 -0.801282 1.032800
C 5.015369 0.206013 -0.455330
C -1.446210 1.243805 -0.142711
C 1.403234 1.299805 -0.022527
C -3.866412 -2.315734 0.672481
C -5.508768 -1.460743 -0.847006
C 3.963955 -2.176274 0.763238
C 5.601910 -1.196939 -0.685540
C -0.748146 2.077755 0.768555
C 0.717290 0.456201 -0.915707
C -0.694448 0.432647 -0.981036
C 0.642716 2.113491 0.836218
H -3.354272 1.824306 0.691012
H -3.249838 1.881063 -1.092914
H 3.220747 2.062962 -0.848152
H 3.243375 1.929791 0.930873
H -3.758404 -0.447496 1.793954
H -2.201606 -0.966829 1.081589
H -5.567253 0.486553 0.131399
H -5.115331 0.545603 -1.600820
H 3.765767 -0.362420 1.958150
H 2.239844 -0.906809 1.198965
H 5.565231 0.711636 0.367726
H 5.145014 0.824006 -1.369089
H -3.331040 -2.852512 -0.130647
H -3.873475 -2.915323 1.598821
H -6.608356 -1.492683 -0.935109
H -5.037049 -1.959246 -1.712424
H 3.464774 -2.702988 -0.069384
H 3.977886 -2.813656 1.664954
H 6.704443 -1.181842 -0.748708
H 5.173648 -1.679538 -1.581870
H -1.183720 -0.238850 -1.693221
H 1.140374 2.770079 1.544228
H -1.004528 3.413761 2.195967
H 2.327630 -0.468833 -1.612967


%chk=000229366-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229366

0 1
O -5.358852 -2.347903 0.022491
O 5.475103 -2.033255 0.430046
O -1.526313 3.148512 1.561765
O 1.393539 -0.616125 -1.451002
N -3.559362 -0.083596 -0.252625
N 3.556520 0.066427 -0.166461
C -2.981783 1.246457 0.053575
C 2.918438 1.421910 -0.058426
C -3.435375 -1.032815 0.883928
C -4.970548 -0.002976 -0.704673
C 3.497133 -0.700665 1.117232
C 4.959305 0.133468 -0.669986
C -1.457172 1.245071 0.068974
C 1.403766 1.324398 0.053071
C -3.955991 -2.417459 0.469355
C -5.470897 -1.402110 -1.100733
C 4.083226 -2.105372 0.907692
C 5.524345 -1.287405 -0.836632
C -0.749245 2.218913 0.823073
C 0.699898 0.334232 -0.697626
C -0.713633 0.310877 -0.681994
C 0.661874 2.252122 0.818744
H -3.354658 1.657846 1.021267
H -3.327650 1.949721 -0.731224
H 3.188573 1.962629 -0.988933
H 3.342578 1.998450 0.794388
H -4.012521 -0.673329 1.773442
H -2.371450 -1.107049 1.174503
H -5.638993 0.409465 0.093555
H -5.030415 0.669948 -1.581677
H 4.072052 -0.168855 1.908973
H 2.441894 -0.769491 1.437030
H 5.601388 0.709487 0.035407
H 4.961982 0.652745 -1.646671
H -3.322281 -2.822587 -0.349048
H -3.953957 -3.117064 1.321615
H -6.541541 -1.383059 -1.364352
H -4.878284 -1.775288 -1.964022
H 3.461130 -2.668610 0.178986
H 4.125151 -2.659978 1.858792
H 6.588354 -1.255401 -1.121943
H 4.948866 -1.831236 -1.617186
H -1.250035 -0.446513 -1.260963
H 1.195849 3.015432 1.403433
H -0.939218 3.761955 2.068341
H 2.391805 -0.541325 -1.140996


