%chk=000296314.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296314

0 1
O -3.065198 0.526926 -0.421006
O -0.581432 -1.847094 1.863857
O -1.827331 2.900173 -3.241226
N 5.061414 -0.242362 0.153727
N 1.456056 -0.259400 1.231240
C 3.634374 -0.686339 0.098489
C 2.907267 0.023544 1.265190
C 0.561590 0.435250 0.461440
C -0.819140 0.034281 0.442831
C -1.703322 0.814165 -0.333063
C 5.625394 0.016500 -1.211935
C 5.903108 -1.217722 0.925483
C -1.321714 1.928192 -1.079955
C -1.305663 -1.126372 1.183322
C 0.964497 1.568674 -0.313766
C -2.755120 -1.394205 1.059456
C 0.045510 2.285710 -1.048169
C -3.564902 -0.565873 0.273437
C 5.012113 1.286357 -1.803218
C 7.182421 -0.532674 1.407709
C -2.291746 2.733161 -1.890222
C -3.364344 -2.477483 1.722336
C -4.946931 -0.771523 0.121560
C -4.730837 -2.702261 1.587770
C -5.516932 -1.850544 0.789772
H 3.504188 -1.785912 0.169827
H 3.163176 -0.389043 -0.864849
H 3.104023 1.120832 1.219977
H 3.308486 -0.319323 2.245021
H 1.133172 -1.100646 1.750117
H 6.725260 0.159592 -1.105336
H 5.482350 -0.839326 -1.906294
H 5.321215 -1.561142 1.809816
H 6.153676 -2.127966 0.338672
H 2.010571 1.869916 -0.310918
H 0.361950 3.152984 -1.637928
H 3.948485 1.162162 -2.037034
H 5.091509 2.124579 -1.097739
H 5.524884 1.576111 -2.726394
H 7.856854 -0.289410 0.578712
H 6.952503 0.412896 1.918069
H 7.729256 -1.170278 2.109802
H -3.299190 2.274677 -1.917544
H -2.368258 3.778736 -1.531128
H -2.738288 -3.129831 2.339724
H -5.534146 -0.099584 -0.500064
H -5.199018 -3.540148 2.101349
H -6.587838 -2.039666 0.694530
H -1.636254 2.029514 -3.642945


%chk=000296314-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296314

0 1
O -3.178036 0.500507 -0.396510
O -0.532653 -1.810829 1.899664
O -1.880815 3.226771 -3.247415
N 5.110071 -0.261511 0.085574
N 1.438873 -0.237327 1.125248
C 3.662005 -0.554163 -0.023524
C 2.876204 0.044134 1.177265
C 0.528119 0.468858 0.373393
C -0.870015 0.064575 0.394796
C -1.803064 0.827330 -0.378963
C 5.768842 -0.013133 -1.224461
C 5.835186 -1.250307 0.930017
C -1.439701 1.940575 -1.162735
C -1.325074 -1.085201 1.178326
C 0.897997 1.596828 -0.423635
C -2.770690 -1.400495 1.112893
C -0.066532 2.300269 -1.158594
C -3.644523 -0.601796 0.332776
C 5.425125 1.368117 -1.814751
C 7.098425 -0.667487 1.592182
C -2.450797 2.731330 -1.978900
C -3.317106 -2.500387 1.825706
C -5.027685 -0.871424 0.252399
C -4.691171 -2.785557 1.756569
C -5.545923 -1.967210 0.967959
H 3.452138 -1.649334 -0.083881
H 3.270113 -0.109006 -0.955343
H 3.069035 1.131978 1.217872
H 3.267025 -0.381262 2.119322
H 1.028636 -1.036237 1.648606
H 6.861357 -0.062640 -1.065216
H 5.520856 -0.814661 -1.965610
H 5.144597 -1.585475 1.726569
H 6.102250 -2.165962 0.343612
H 1.941726 1.919426 -0.460492
H 0.231962 3.161502 -1.766642
H 4.342871 1.473815 -2.015891
H 5.721257 2.164899 -1.110437
H 5.956607 1.523721 -2.772217
H 7.839254 -0.333296 0.843516
H 6.832400 0.202048 2.218001
H 7.587384 -1.428513 2.228774
H -3.360087 2.125955 -2.155623
H -2.753985 3.656986 -1.458301
H -2.628063 -3.105831 2.423140
H -5.664927 -0.227081 -0.360090
H -5.106112 -3.634914 2.308541
H -6.617475 -2.187627 0.914046
H -1.568181 2.447849 -3.775032


