%chk=000232786.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232786

0 1
O -3.838789 1.000705 2.091867
O -4.346927 -2.813519 -0.478415
N -3.934592 -0.584982 -1.093254
N -4.147575 -1.084209 1.117364
C -3.710647 0.718680 -0.396272
C -2.301975 1.280520 -0.646583
C -1.172618 0.336467 -0.217054
C 0.202317 0.945435 -0.524147
C 1.335463 0.003145 -0.095819
C -4.795373 1.721620 -0.777591
C -3.890583 0.313390 1.107359
C 2.712008 0.606854 -0.405060
C 3.844944 -0.335262 0.024098
C -4.162038 -1.651595 -0.208520
C 5.221224 0.267803 -0.286058
C 6.355467 -0.673811 0.144568
C 7.703989 -0.087346 -0.154094
C 8.732120 -0.130930 0.691001
H -2.205337 2.245227 -0.102738
H -2.193283 1.532423 -1.720547
H -1.272047 -0.640805 -0.729185
H -1.248778 0.119333 0.867578
H 0.287014 1.166855 -1.605535
H 0.308902 1.918799 -0.006282
H 1.255520 -0.214669 0.987217
H 1.229268 -0.973169 -0.607407
H -4.753891 2.614644 -0.136864
H -5.804018 1.296966 -0.673863
H -4.696549 2.056542 -1.817212
H -3.811840 -0.694739 -2.087909
H 2.819783 1.582021 0.108443
H 2.793900 0.825105 -1.487324
H 3.764103 -0.551875 1.107095
H 3.737344 -1.311627 -0.486786
H -4.320896 -1.637960 1.951047
H 5.301984 0.487172 -1.368181
H 5.332848 1.241896 0.229450
H 6.255225 -0.913550 1.222730
H 6.263794 -1.647379 -0.382721
H 7.794665 0.377123 -1.138082
H 9.704051 0.279843 0.461623
H 8.686825 -0.576640 1.673362


%chk=000232786-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232786

0 1
O -3.908608 0.977334 2.103712
O -4.540577 -2.817944 -0.629560
N -3.998550 -0.547834 -1.123284
N -4.280809 -1.106133 1.026184
C -3.780348 0.722412 -0.392515
C -2.341435 1.287972 -0.582663
C -1.199914 0.324798 -0.194463
C 0.194751 0.915900 -0.500911
C 1.351926 -0.015266 -0.075102
C -4.841934 1.790552 -0.753415
C -3.988352 0.258125 1.079661
C 2.749240 0.560124 -0.397393
C 3.905526 -0.361915 0.050601
C -4.298626 -1.629999 -0.310114
C 5.302696 0.206997 -0.282577
C 6.457845 -0.720794 0.181514
C 7.824662 -0.193918 -0.201866
C 8.833719 0.083304 0.662252
H -2.272307 2.209537 0.026845
H -2.232792 1.593889 -1.643950
H -1.318716 -0.636215 -0.733971
H -1.263205 0.094006 0.888021
H 0.275079 1.127639 -1.588103
H 0.302623 1.892490 0.015461
H 1.279460 -0.212171 1.014783
H 1.235314 -0.998809 -0.576568
H -4.756173 2.646001 -0.061828
H -5.862218 1.376854 -0.675923
H -4.686399 2.154699 -1.785353
H -3.966673 -0.639419 -2.136838
H 2.860505 1.550396 0.091811
H 2.828166 0.742714 -1.489721
H 3.831830 -0.536480 1.144332
H 3.789980 -1.355994 -0.430583
H -4.472828 -1.693951 1.837665
H 5.382271 0.370465 -1.377575
H 5.425297 1.201442 0.191461
H 6.403918 -0.862686 1.278614
H 6.306173 -1.721153 -0.278119
H 7.984281 -0.022450 -1.279179
H 9.799994 0.468268 0.316665
H 8.720212 -0.068285 1.743292


