%chk=000188926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188926

0 1
O -3.449644 0.428396 1.565007
O -3.497703 2.588599 -0.078342
N -2.836630 -0.809362 -0.331997
N 4.780135 0.987475 0.265814
N -3.164898 0.454603 0.159733
N -3.209826 1.537368 -0.588020
C 0.944690 -1.248828 0.210629
C 2.163199 -0.483176 -0.320827
C -0.362188 -0.592488 -0.250766
C 3.477535 -1.138174 0.122992
C -1.577590 -1.351936 0.300750
C 4.706180 -0.361652 -0.378406
C -3.986128 -1.759089 -0.184379
C 6.094587 1.641587 0.015632
H 0.983374 -2.300794 -0.132005
H 0.979356 -1.286233 1.316863
H 2.126704 -0.424364 -1.425735
H 2.138732 0.570699 0.026888
H -0.408212 -0.560361 -1.358793
H -0.391213 0.466683 0.074507
H 3.529857 -2.176112 -0.259935
H 3.503280 -1.223285 1.226539
H -1.509632 -2.428095 0.028660
H -1.604274 -1.296234 1.411584
H 4.630982 -0.197757 -1.477141
H 5.620075 -0.973140 -0.212777
H 4.640044 0.892902 1.277758
H -4.226452 -2.025051 0.857275
H -3.742849 -2.674424 -0.748723
H -4.891489 -1.321682 -0.641213
H 6.085069 2.637566 0.488629
H 6.224289 1.803208 -1.067347
H 6.970478 1.089599 0.386703
H -3.590439 1.379752 1.862845


%chk=000188926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188926

0 1
O -3.146442 0.936289 1.395466
O -2.985053 2.525023 -0.593363
N -2.921507 -0.954413 -0.169121
N 4.774707 0.835551 0.546326
N -3.079952 0.391532 -0.008900
N -2.951568 1.296221 -1.034254
C 0.940256 -1.360751 0.073889
C 2.153764 -0.511488 -0.363802
C -0.409518 -0.678591 -0.249364
C 3.506754 -1.210862 -0.105796
C -1.597818 -1.494412 0.283886
C 4.724130 -0.305577 -0.391830
C -4.112142 -1.750176 0.225499
C 5.850553 1.807607 0.280014
H 0.981573 -2.353021 -0.423186
H 1.006824 -1.553894 1.165571
H 2.068069 -0.276869 -1.445238
H 2.152339 0.459270 0.167536
H -0.515530 -0.550429 -1.343557
H -0.418442 0.334155 0.198265
H 3.584942 -2.122646 -0.732230
H 3.552074 -1.555409 0.950369
H -1.551497 -2.528547 -0.106562
H -1.563400 -1.544123 1.394481
H 4.643629 0.104710 -1.419059
H 5.659427 -0.922835 -0.369252
H 4.779287 0.511880 1.523348
H -4.233196 -1.811110 1.326032
H -3.994129 -2.766985 -0.185288
H -5.011920 -1.292247 -0.213568
H 5.834502 2.601817 1.047522
H 5.677173 2.288991 -0.700628
H 6.878496 1.366674 0.258005
H -3.126988 1.930867 1.161192


