%chk=000271688.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271688

0 1
O 1.296579 1.236255 -2.054660
O 1.746098 -1.718502 1.428673
N 1.671619 -0.113496 -0.202074
N -0.039129 1.592306 -0.220416
N -4.570105 -1.863755 0.364456
C 3.169268 -0.125896 -0.421676
C 3.896200 0.289921 0.871442
C 3.634857 -1.513979 -0.900286
C -0.907940 2.591955 -0.909713
C 5.411477 0.302738 0.633413
C 5.150578 -1.495460 -1.138163
C 5.906707 -1.059441 0.125432
C -2.307978 2.002564 -1.179159
C -0.982132 3.871940 -0.052366
C -3.142791 1.841913 0.096290
C -1.834953 3.702085 1.210557
C -3.230695 3.158097 0.878653
C 0.957818 0.924703 -0.923768
C 1.063871 -1.073935 0.653876
C -0.408182 -1.259379 0.536040
C -1.030151 -1.437384 -0.709329
C -1.170511 -1.360172 1.713513
C -2.396741 -1.679427 -0.791947
C -2.537621 -1.588309 1.652491
C -3.171537 -1.743195 0.390432
C -5.251546 -2.361461 -0.851043
H 3.383315 0.625929 -1.231393
H -0.422284 2.841464 -1.895742
H 3.644180 -0.422395 1.686596
H 3.548492 1.281236 1.210016
H 3.101871 -1.799044 -1.824971
H 3.382491 -2.283647 -0.140772
H 5.673745 1.094044 -0.094829
H 5.932699 0.565790 1.572820
H 5.489162 -2.500677 -1.451609
H 5.393365 -0.815075 -1.977052
H 5.772338 -1.821173 0.918479
H 6.991653 -1.014621 -0.079902
H -2.212339 1.023892 -1.689114
H -2.836782 2.666270 -1.890485
H -1.400981 4.684781 -0.677781
H 0.040116 4.197073 0.223721
H -2.709024 1.046776 0.734856
H -4.158131 1.486727 -0.164651
H -1.923677 4.674491 1.731585
H -1.326102 3.025363 1.923033
H -3.807570 3.005873 1.809727
H -3.793691 3.907262 0.289422
H -0.354260 1.274774 0.693238
H -0.434002 -1.390989 -1.625445
H -0.673155 -1.264216 2.682806
H -2.859796 -1.816475 -1.764792
H -3.117230 -1.652234 2.569211
H -5.014111 -2.163748 1.231526
H -5.069469 -1.673931 -1.697264
H -6.340611 -2.383035 -0.677920
H -4.926172 -3.371774 -1.152482


%chk=000271688-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271688

0 1
O 1.183709 1.466633 -1.918695
O 1.429684 -1.502280 1.718543
N 1.401844 -0.144733 -0.194739
N -0.406407 1.423797 -0.227011
N -4.484058 -3.121733 -0.248748
C 2.898587 -0.163034 -0.366290
C 3.621660 0.594776 0.775991
C 3.456793 -1.591890 -0.549749
C -1.271189 2.447871 -0.859408
C 5.147874 0.634641 0.516179
C 4.982024 -1.534747 -0.815197
C 5.722723 -0.789014 0.320934
C -2.702449 2.345369 -0.275803
C -0.692936 3.876935 -0.671181
C -2.783255 2.828358 1.195407
C -0.762294 4.343617 0.800774
C -2.207018 4.256979 1.351096
C 0.723290 0.947611 -0.855023
C 0.785682 -1.043094 0.720742
C -0.605315 -1.508175 0.427461
C -1.145396 -1.566875 -0.885616
C -1.385509 -2.026314 1.499640
C -2.422654 -2.099635 -1.126022
C -2.666204 -2.546867 1.278516
C -3.215212 -2.594088 -0.043386
C -5.121630 -3.233489 -1.559404
H 3.058250 0.390631 -1.311706
H -1.289852 2.223765 -1.943139
H 3.408400 0.082909 1.732233
H 3.219885 1.624638 0.848480
H 2.936877 -2.086087 -1.393459
H 3.266725 -2.190472 0.359507
H 5.351485 1.237077 -0.393818
H 5.656953 1.143609 1.357558
H 5.377467 -2.563720 -0.919843
H 5.175191 -1.017651 -1.778229
H 5.608277 -1.359839 1.265156
H 6.807081 -0.737343 0.101623
H -3.071021 1.305111 -0.370457
H -3.363393 2.983313 -0.895086
H -1.281494 4.569727 -1.307512
H 0.345183 3.891361 -1.047915
H -2.226026 2.135724 1.861395
H -3.835915 2.797549 1.536511
H -0.382086 5.379608 0.886000
H -0.094466 3.708372 1.417753
H -2.233728 4.564525 2.414435
H -2.851388 4.969093 0.794192
H -0.719977 0.994405 0.644185
H -0.547673 -1.214285 -1.733506
H -0.951421 -2.021877 2.505262
H -2.800692 -2.147547 -2.151606
H -3.253837 -2.934532 2.120426
H -4.985602 -3.476787 0.563554
H -5.251720 -2.242803 -2.039129
H -6.119693 -3.685640 -1.440213
H -4.537034 -3.874054 -2.250161


