%chk=000212712.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212712

0 1
O 0.330165 -2.755315 -1.621912
O 1.346753 -2.955542 0.272954
O -4.437360 1.806852 0.737869
N -3.689182 -0.016291 -0.458175
N 0.562223 -2.401003 -0.479184
N 2.588026 -0.044023 -0.821805
C 0.316198 -0.327843 0.955986
C 1.735527 -0.389159 1.444458
C -0.223861 -1.251383 0.047997
C -0.518122 0.717892 1.401035
C -2.352796 -0.091197 0.041143
C -1.540746 -1.138812 -0.422181
C 2.686292 0.295530 0.495415
C -1.830571 0.840358 0.965326
C 3.641750 1.219071 0.961970
C 4.515934 1.801724 0.040530
C -4.663923 0.940190 -0.080665
C 3.444719 0.531581 -1.702455
C 4.423944 1.460026 -1.311371
C -5.978859 0.767637 -0.784868
H 1.816228 0.042825 2.464117
H 2.062966 -1.457735 1.565508
H -0.120170 1.454620 2.102284
H -1.908442 -1.862014 -1.155272
H -2.459997 1.662615 1.333669
H 3.701248 1.473181 2.016359
H -3.939267 -0.721242 -1.155394
H 5.265395 2.518857 0.376227
H 3.329951 0.225772 -2.749849
H 5.093252 1.898748 -2.046174
H -5.893573 0.874549 -1.874982
H -6.687563 1.543733 -0.445088
H -6.449137 -0.202502 -0.573872


%chk=000212712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212712

0 1
O 0.255669 -2.663424 -1.695813
O 1.533349 -2.747568 0.179870
O -4.680177 1.767409 0.784435
N -3.731840 0.006662 -0.446252
N 0.585361 -2.230363 -0.525363
N 2.446163 0.161606 -0.805454
C 0.297520 -0.245817 1.049569
C 1.735770 -0.231050 1.537398
C -0.216866 -1.119007 0.052294
C -0.608335 0.729317 1.533954
C -2.412040 -0.037845 0.079974
C -1.535311 -1.021092 -0.433579
C 2.718743 0.355882 0.519498
C -1.938662 0.847096 1.086094
C 3.881904 1.042180 0.953136
C 4.788618 1.537346 -0.009162
C -4.780772 0.867750 -0.098312
C 3.328375 0.642920 -1.726844
C 4.509984 1.335757 -1.380730
C -6.065236 0.618055 -0.887646
H 1.795434 0.360892 2.468151
H 2.066309 -1.258530 1.772223
H -0.250345 1.435150 2.292205
H -1.850928 -1.718217 -1.217028
H -2.608328 1.607322 1.491056
H 4.068863 1.181655 2.023441
H -3.936255 -0.678607 -1.177904
H 5.692181 2.071163 0.304357
H 3.069557 0.459408 -2.775914
H 5.184337 1.703213 -2.160332
H -5.903345 0.754810 -1.972991
H -6.827470 1.334980 -0.551367
H -6.445225 -0.407354 -0.723365


