%chk=000106665.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106665

0 1
O -3.391154 -0.069750 0.260015
O -1.453318 1.667140 0.041659
O 3.788650 -2.073321 -0.631339
O 1.787652 -1.992011 -1.445539
N 1.323170 0.562296 -0.322570
N 3.445100 0.471694 0.525291
N 2.726772 -1.523611 -0.803168
C -1.127731 0.271714 -0.064476
C 0.075362 0.220702 -1.024507
C -2.338364 -0.492289 -0.633828
C 2.508646 -0.203320 -0.213846
C 1.541851 1.732255 0.379389
C -4.733218 -0.343248 -0.233946
C 2.858880 1.656320 0.892998
C -5.632431 0.219197 0.850345
H -0.875745 -0.092607 0.959323
H -0.084961 0.954812 -1.855577
H 0.170302 -0.793927 -1.498070
H -2.222899 -1.587404 -0.562861
H -2.573587 -0.200566 -1.671325
H 0.790637 2.505600 0.483133
H -2.385926 1.761495 0.379535
H -4.867608 0.162206 -1.205761
H -4.844846 -1.434984 -0.354000
H 3.377339 2.390967 1.490324
H -6.685760 -0.015547 0.658676
H -5.367814 -0.193822 1.834924
H -5.536299 1.309608 0.931103


%chk=000106665-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106665

0 1
O -3.447612 0.057180 0.266145
O -1.347206 1.737728 0.228308
O 3.926076 -2.082469 -0.631944
O 1.719098 -2.182279 -1.215013
N 1.378147 0.530265 -0.326932
N 3.533313 0.463300 0.442396
N 2.755995 -1.561540 -0.712552
C -1.101984 0.311305 -0.037406
C 0.090788 0.214378 -0.996446
C -2.364763 -0.314306 -0.652158
C 2.565991 -0.215285 -0.212460
C 1.636580 1.747539 0.297023
C -4.784133 -0.347790 -0.209094
C 2.961736 1.685103 0.763994
C -5.804977 0.118995 0.826332
H -0.872803 -0.214652 0.913104
H -0.061238 0.937636 -1.817740
H 0.176930 -0.801335 -1.408125
H -2.266003 -1.417892 -0.723319
H -2.560617 0.103539 -1.664562
H 0.858644 2.503545 0.367135
H -2.258182 1.788290 0.626875
H -4.975963 0.111930 -1.203192
H -4.809247 -1.452343 -0.326206
H 3.520120 2.441957 1.308944
H -6.823814 -0.177939 0.518762
H -5.591880 -0.332461 1.810272
H -5.780296 1.217198 0.933759


