%chk=000213622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213622

0 1
O 4.321885 -2.623930 0.768765
O 6.643993 3.098037 -0.869417
N -1.276893 -2.032494 -0.163140
N 2.414707 -1.565198 0.107226
N -6.848787 -0.157707 -0.962733
C 1.544199 -2.743745 0.367940
C 0.533743 -2.436668 1.490134
C 0.804635 -3.160713 -0.918054
C -0.580441 -1.479539 1.044084
C -0.318271 -2.187937 -1.306344
C -2.437023 -1.168291 -0.560256
C -3.624225 -1.459278 0.380754
C -4.826840 -0.700372 -0.044328
C 3.791759 -1.612766 0.332136
C -5.071829 0.703012 0.201061
C -5.914312 -1.195518 -0.748445
C -6.345689 1.016937 -0.384469
C 4.536480 -0.355527 0.025237
C -4.351287 1.720445 0.853631
C -6.894690 2.315104 -0.327432
C -4.893056 2.993098 0.907612
C -6.153278 3.285692 0.321412
C 5.498964 0.082113 0.945471
C 4.330343 0.355106 -1.170848
C 6.237956 1.242257 0.705079
C 5.056194 1.508193 -1.436154
C 6.006379 1.944574 -0.485710
C 7.663178 3.638544 0.008053
H 2.212226 -3.590559 0.698383
H 0.079931 -3.394224 1.820494
H 1.054090 -2.021373 2.373371
H 1.518355 -3.263418 -1.756667
H 0.370429 -4.169476 -0.755919
H -0.168815 -0.461120 0.877672
H -1.333852 -1.389468 1.858699
H -0.882802 -2.610117 -2.167471
H 0.111092 -1.221739 -1.646483
H -2.736247 -1.418838 -1.601705
H -2.203147 -0.082584 -0.553667
H -3.822609 -2.552444 0.393770
H -3.359489 -1.201068 1.427549
H 1.954929 -0.713798 -0.191100
H -6.093409 -2.192984 -1.107110
H -7.722754 -0.252428 -1.438404
H -3.387967 1.495041 1.304759
H -7.857552 2.534112 -0.774840
H -4.354524 3.795224 1.407209
H -6.535326 4.303454 0.391950
H 5.673377 -0.496896 1.857130
H 3.605977 -0.006167 -1.902793
H 6.976004 1.573450 1.427551
H 4.918588 2.075619 -2.353736
H 7.988783 4.526891 -0.549588
H 7.225990 3.917901 0.970768
H 8.484125 2.924576 0.121515


%chk=000213622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213622

0 1
O 3.920058 -2.179569 1.563117
O 6.595228 3.215516 -0.835951
N -1.264145 -2.174660 -0.233426
N 2.411344 -1.736015 -0.141909
N -6.890460 -0.072257 -0.692452
C 1.583515 -2.926560 0.155464
C 0.613899 -2.675392 1.339903
C 0.772895 -3.338675 -1.093223
C -0.511737 -1.695917 0.957687
C -0.364394 -2.339825 -1.400350
C -2.437543 -1.324683 -0.556147
C -3.610236 -1.506038 0.445192
C -4.818579 -0.681019 0.074621
C 3.551852 -1.443874 0.587460
C -4.961103 0.762299 0.200956
C -6.014332 -1.148119 -0.470809
C -6.270367 1.115091 -0.287100
C 4.329628 -0.220808 0.181746
C -4.112982 1.792130 0.690666
C -6.740907 2.447094 -0.301144
C -4.576462 3.121845 0.681993
C -5.875878 3.446455 0.189094
C 5.316462 0.250613 1.081091
C 4.147018 0.474795 -1.046396
C 6.093713 1.389186 0.790384
C 4.914172 1.610578 -1.354277
C 5.888166 2.076116 -0.433649
C 7.627916 3.729777 0.069170
H 2.287783 -3.727863 0.442701
H 0.164234 -3.643014 1.633725
H 1.185313 -2.289883 2.202701
H 1.439194 -3.436943 -1.971498
H 0.319616 -4.327779 -0.898317
H -0.077010 -0.677124 0.770688
H -1.210990 -1.596918 1.805920
H -0.961075 -2.712673 -2.253414
H 0.067843 -1.350983 -1.727254
H -2.799709 -1.611348 -1.561526
H -2.159791 -0.241084 -0.612303
H -3.865152 -2.581200 0.475296
H -3.275163 -1.230425 1.464338
H 2.077450 -1.082111 -0.850569
H -6.307316 -2.168768 -0.711756
H -7.831260 -0.147168 -1.071726
H -3.113506 1.556281 1.074221
H -7.739104 2.701656 -0.675300
H -3.933226 3.925050 1.058561
H -6.207168 4.490984 0.193896
H 5.460602 -0.305706 2.013221
H 3.427211 0.122948 -1.795491
H 6.845085 1.726585 1.510385
H 4.787853 2.147696 -2.298979
H 8.045207 4.608757 -0.443100
H 7.194490 4.034160 1.041315
H 8.425046 2.979789 0.235159


