%chk=000235982.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235982

0 1
O -1.709360 0.152481 -0.551629
N 4.922845 -0.421427 0.567506
C -0.643969 -2.488061 -0.399666
C -0.231127 2.572419 -0.250536
C 0.218576 -1.256116 -0.210440
C 0.419568 1.208103 -0.137779
C -0.348363 0.033077 -0.263194
C 1.597100 -1.359796 0.003983
C 1.795664 1.074461 0.075806
C -0.686323 -3.313915 0.891544
C -0.140373 -3.323756 -1.582220
C 0.407100 3.383389 -1.384304
C -0.145699 3.317120 1.087064
C 2.375802 -0.201410 0.152858
C -2.562806 0.187477 0.640508
C 3.785600 -0.323167 0.381656
C -3.943927 0.316502 0.079174
C -5.033598 0.383597 0.838536
H -1.689914 -2.152269 -0.641877
H -1.316399 2.425230 -0.507316
H 2.067486 -2.342825 0.053829
H 2.418745 1.963739 0.180914
H 0.297663 -3.722300 1.148635
H -1.372779 -4.162433 0.792161
H -1.021700 -2.713253 1.743378
H -0.077645 -2.718308 -2.494732
H -0.817186 -4.160404 -1.788422
H 0.853425 -3.745903 -1.399746
H 1.455195 3.627638 -1.181872
H -0.124285 4.329208 -1.538035
H 0.375597 2.830300 -2.331025
H -0.578007 2.729752 1.903766
H -0.685344 4.269865 1.040786
H 0.890117 3.545149 1.363102
H -2.414276 -0.750323 1.206382
H -2.267003 1.054538 1.258899
H -3.977579 0.350846 -1.015294
H -6.030291 0.476832 0.428995
H -5.025229 0.351744 1.918303


%chk=000235982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235982

0 1
O -1.758433 0.102297 -0.531678
N 4.988069 -0.366938 0.662720
C -0.587591 -2.564996 -0.419153
C -0.273401 2.577154 -0.209980
C 0.233734 -1.291438 -0.201497
C 0.387871 1.200849 -0.102113
C -0.366324 0.000781 -0.253471
C 1.623835 -1.365542 0.033650
C 1.775423 1.084645 0.131828
C -0.560826 -3.486469 0.829518
C -0.104482 -3.329859 -1.681003
C 0.318440 3.390982 -1.392077
C -0.158760 3.371524 1.118815
C 2.397333 -0.188645 0.208214
C -2.625626 0.075656 0.685572
C 3.812345 -0.286123 0.455518
C -4.057250 0.059705 0.224516
C -5.008680 0.913595 0.674646
H -1.632651 -2.255700 -0.603575
H -1.344128 2.411499 -0.427993
H 2.120734 -2.340387 0.079453
H 2.387499 1.984343 0.254328
H 0.463420 -3.844504 1.043099
H -1.199017 -4.374154 0.664848
H -0.926565 -2.961578 1.731403
H -0.158383 -2.689752 -2.579417
H -0.735070 -4.221677 -1.852860
H 0.940936 -3.672943 -1.569385
H 1.393783 3.600809 -1.240709
H -0.203788 4.360825 -1.487324
H 0.208844 2.844784 -2.345682
H -0.594634 2.811563 1.966814
H -0.688680 4.338355 1.034955
H 0.896862 3.587603 1.368199
H -2.381731 -0.839040 1.267401
H -2.411857 0.960622 1.317657
H -4.307989 -0.717951 -0.509751
H -6.048126 0.841369 0.337194
H -4.777838 1.706534 1.397014


