%chk=000296420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296420

0 1
O -0.362995 0.684634 1.657114
O -1.420186 -0.953664 -1.264304
O 1.961405 -0.357602 1.036209
N -2.532632 -0.186185 0.570749
N 1.316985 -1.150490 -1.009336
N -3.753570 -0.842813 0.277319
N 2.455092 -1.971284 -1.205143
C -0.037272 1.835178 -0.452475
C -0.152768 0.454593 0.262670
C 0.124247 1.674900 -1.961854
C 1.110128 2.646430 0.149187
C -1.406306 -0.309722 -0.218601
C 1.132346 -0.397056 0.131977
H -0.997754 2.375857 -0.242063
H 1.115297 1.293549 -2.237063
H 0.005357 2.639173 -2.471407
H -0.619950 0.990112 -2.392974
H 2.077315 2.135710 0.058805
H 0.943745 2.842122 1.216533
H 1.208768 3.618258 -0.348750
H 0.512256 0.642531 2.150544
H -2.521396 0.267430 1.495320
H 0.574097 -1.294803 -1.720433
H -4.119941 -0.497168 -0.622560
H -3.590803 -1.852212 0.140254
H 2.556818 -2.633187 -0.420746
H 3.305117 -1.388491 -1.187269


%chk=000296420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296420

0 1
O -0.418553 0.765212 1.689481
O -1.407897 -0.912589 -1.394804
O 1.874917 -0.429295 1.228678
N -2.500915 -0.276197 0.562734
N 1.326659 -1.107220 -0.939579
N -3.706384 -0.975023 0.280089
N 2.404992 -2.036113 -1.036470
C -0.019928 1.849235 -0.490437
C -0.186716 0.470676 0.271517
C 0.110577 1.737309 -2.026132
C 1.160543 2.650664 0.105338
C -1.412590 -0.304504 -0.268890
C 1.102641 -0.397875 0.206847
H -0.956824 2.395363 -0.255511
H 1.062209 1.254141 -2.313658
H 0.109540 2.753360 -2.461123
H -0.715441 1.166343 -2.481291
H 2.128193 2.154380 -0.094138
H 1.051516 2.774829 1.195329
H 1.195079 3.654869 -0.354497
H 0.427432 0.488237 2.157679
H -2.375590 0.112962 1.503225
H 0.532447 -1.230034 -1.590921
H -4.293336 -0.434725 -0.371735
H -3.487630 -1.900905 -0.116489
H 2.672448 -2.347297 -0.090467
H 3.206008 -1.610003 -1.523071


