%chk=000254366.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254366

0 1
O 0.782206 -0.365866 -2.114418
N -1.655558 0.196599 -1.345113
N -1.345563 -0.357940 0.857470
C 0.741086 -0.270411 -0.662484
C -0.739211 -0.179992 -0.331508
C 1.507681 -1.447063 -0.077777
C 1.419475 1.046060 -0.304800
C -2.921661 0.255738 -0.741913
C -2.712718 -0.097345 0.639191
C 2.734675 -1.770178 -0.687966
C 1.407501 1.480986 1.028526
C 1.075274 -2.182256 1.028846
C 2.061139 1.807176 -1.288986
C -4.200762 0.566942 -1.239646
C -3.806037 -0.135905 1.528117
C 3.501799 -2.831327 -0.209795
C 2.039279 2.678388 1.371384
C 1.849812 -3.247009 1.507502
C 2.690767 3.005460 -0.938936
C -5.251073 0.519512 -0.340101
C -5.056790 0.172749 1.025123
C 3.057596 -3.575972 0.890324
C 2.681187 3.441375 0.389378
H -1.416731 0.415905 -2.297971
H 3.087792 -1.176211 -1.533354
H 0.900802 0.886945 1.793203
H 0.138332 -1.938032 1.540306
H 2.065012 1.461861 -2.324780
H 0.716274 -1.306107 -2.394989
H -4.346668 0.832685 -2.281423
H -3.646446 -0.401467 2.571336
H 4.448880 -3.076967 -0.686909
H 2.030115 3.017842 2.405857
H 1.503320 -3.816561 2.368892
H 3.188937 3.598296 -1.703672
H -6.261350 0.753438 -0.675368
H -5.925432 0.154273 1.682070
H 3.656317 -4.404736 1.264402
H 3.172241 4.374215 0.660382


%chk=000254366-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254366

0 1
O 0.771252 -0.416462 -2.196699
N -1.675491 0.149375 -1.319678
N -1.331305 -0.384688 0.868946
C 0.723153 -0.295651 -0.706789
C -0.756936 -0.233530 -0.339171
C 1.512913 -1.473772 -0.095963
C 1.389052 1.056710 -0.351052
C -2.932098 0.251022 -0.713841
C -2.700218 -0.089757 0.664972
C 2.826192 -1.695630 -0.594769
C 1.307771 1.538653 0.979339
C 1.004319 -2.326518 0.913383
C 2.105322 1.795102 -1.321317
C -4.211520 0.586201 -1.203179
C -3.774749 -0.093861 1.582850
C 3.607568 -2.763427 -0.108530
C 1.946453 2.745800 1.334236
C 1.793227 -3.395291 1.399697
C 2.740573 3.006675 -0.962041
C -5.270026 0.578897 -0.269909
C -5.055748 0.244530 1.100423
C 3.091181 -3.621886 0.891244
C 2.666827 3.484684 0.365557
H -1.406789 0.311081 -2.290153
H 3.235601 -1.017988 -1.352156
H 0.736997 0.974125 1.725219
H 0.008488 -2.136195 1.323350
H 2.152233 1.420021 -2.347193
H 0.806685 -1.383437 -2.412512
H -4.384942 0.845186 -2.252846
H -3.604879 -0.351159 2.632775
H 4.618216 -2.922266 -0.501244
H 1.880620 3.110771 2.365383
H 1.389972 -4.048729 2.181563
H 3.291711 3.575050 -1.720098
H -6.280860 0.837267 -0.604334
H -5.907610 0.252900 1.789082
H 3.697241 -4.451349 1.272821
H 3.161106 4.422644 0.643032


