%chk=000256715.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256715

0 1
O 5.582207 0.359453 -0.148154
O -5.124766 0.388420 0.770250
N -0.415928 -1.674629 0.124520
N -2.725910 -0.938972 0.052218
N -3.251891 1.390501 -0.176790
C 1.462218 -0.143911 -0.011930
C 0.005443 -0.376725 0.005584
C -0.917679 0.679202 -0.100049
C 2.005056 1.027225 0.537272
C 2.323886 -1.115970 -0.568811
C -2.294962 0.353897 -0.059624
C -1.765388 -1.913380 0.146205
C 4.214429 0.283529 -0.050091
C 3.382966 1.255072 0.523432
C 3.694979 -0.908822 -0.600070
C -2.228603 -3.324073 0.266207
C -4.648247 1.299645 0.147553
C -5.417896 2.497731 -0.341473
C 6.241361 1.529393 0.395735
H -0.578299 1.701117 -0.209982
H 1.349190 1.770666 0.993884
H 1.899446 -2.040106 -0.974091
H 3.785538 2.164122 0.955546
H 4.375179 -1.641765 -1.028823
H -2.891901 2.280178 -0.530268
H -2.247408 -3.812524 -0.721212
H -1.560270 -3.916564 0.910901
H -3.250721 -3.381360 0.678471
H -5.104562 3.429910 0.145259
H -6.489910 2.365969 -0.114062
H -5.339928 2.634509 -1.428272
H 6.066070 1.597728 1.473173
H 5.913711 2.429563 -0.131634
H 7.296187 1.310171 0.182426


%chk=000256715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256715

0 1
O 5.662564 0.289122 0.178001
O -5.385218 0.220119 0.335293
N -0.434864 -1.716836 -0.036649
N -2.767539 -1.014969 -0.084917
N -3.317755 1.316669 -0.047839
C 1.443011 -0.158118 0.049691
C -0.022770 -0.398671 0.007379
C -0.982258 0.642179 0.019191
C 2.006143 1.143664 0.085808
C 2.333014 -1.271799 0.055651
C -2.356489 0.282166 -0.032073
C -1.775709 -1.963130 -0.076667
C 4.266038 0.218824 0.135512
C 3.401129 1.343368 0.128930
C 3.721935 -1.091700 0.097396
C -2.219027 -3.402912 -0.149890
C -4.728085 1.259859 0.100192
C -5.373891 2.642842 -0.051978
C 6.279332 1.618392 0.224894
H -0.686162 1.693956 0.074308
H 1.361836 2.029600 0.080103
H 1.895326 -2.273439 0.027254
H 3.797842 2.362470 0.156352
H 4.408317 -1.943704 0.102631
H -2.929599 2.257263 -0.154707
H -2.214505 -3.746195 -1.202090
H -1.526260 -4.048286 0.413429
H -3.245464 -3.502215 0.234273
H -4.989202 3.353886 0.703451
H -6.459561 2.538164 0.084250
H -5.179479 3.066100 -1.055033
H 5.968962 2.173160 1.131438
H 6.029808 2.209072 -0.677796
H 7.362178 1.430296 0.257509


