%chk=000280996.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280996

0 1
O -2.803898 1.893076 0.781721
O -2.331685 2.195185 -1.307641
O 3.240179 1.566038 1.229322
O 2.199672 -2.861815 0.775476
O 3.502262 -1.368147 -0.091871
N -2.142408 1.687364 -0.217536
N 2.417919 -1.763091 0.300906
C -2.551831 -1.320427 -0.079433
C -1.172401 -0.634283 -0.036751
C -2.411449 -2.823274 -0.392722
C -3.446859 -0.701114 -1.166261
C -3.180118 -1.153394 1.313558
C -0.981910 0.757496 -0.096452
C -0.015506 -1.419057 0.115594
C 0.294596 1.366835 -0.034268
C 1.430633 0.549420 0.086071
C 1.250526 -0.835304 0.164147
C 0.412334 2.850698 -0.084510
C 2.803834 1.195731 0.168608
C 3.499930 1.356975 -1.141115
H -3.394942 -3.311051 -0.398455
H -1.963778 -2.994877 -1.378076
H -1.811025 -3.355816 0.354824
H -4.189338 -1.424074 -1.530370
H -4.037255 0.149243 -0.803983
H -2.878903 -0.373446 -2.044497
H -3.306434 -0.096848 1.593103
H -4.175360 -1.611587 1.354872
H -2.573398 -1.622761 2.095956
H -0.097485 -2.511927 0.216154
H -0.064910 3.274233 -0.986588
H -0.068627 3.324805 0.790264
H 1.447824 3.222351 -0.081294
H 4.302044 2.108593 -1.083075
H 2.829095 1.628971 -1.964400
H 3.990172 0.404480 -1.425478


%chk=000280996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280996

0 1
O -2.817570 1.959884 0.781218
O -2.257394 2.257301 -1.408649
O 3.224372 1.680716 1.265819
O 2.206376 -3.016735 0.370406
O 3.599250 -1.221114 0.220215
N -2.098960 1.705585 -0.256615
N 2.419124 -1.752810 0.247900
C -2.585356 -1.346122 -0.048773
C -1.194205 -0.652655 -0.036802
C -2.441932 -2.866877 -0.344426
C -3.537797 -0.758699 -1.135862
C -3.234808 -1.196029 1.365034
C -0.961386 0.752096 -0.107259
C -0.021413 -1.432466 0.083851
C 0.314340 1.382470 -0.053211
C 1.463731 0.554938 0.060494
C 1.253338 -0.841173 0.125202
C 0.432829 2.895315 -0.129676
C 2.849463 1.207882 0.162495
C 3.611850 1.413903 -1.133107
H -3.450808 -3.311691 -0.402589
H -1.932368 -3.056462 -1.307134
H -1.901870 -3.405286 0.454760
H -4.420047 -1.417766 -1.221784
H -3.919551 0.243723 -0.887995
H -3.050152 -0.715555 -2.126213
H -3.398948 -0.139561 1.632238
H -4.211572 -1.713890 1.372685
H -2.597138 -1.656201 2.141892
H -0.071166 -2.519718 0.144491
H 0.284399 3.246383 -1.167155
H -0.330977 3.393187 0.493090
H 1.414747 3.240245 0.224730
H 4.648658 1.712196 -0.912644
H 3.124849 2.221078 -1.716803
H 3.609593 0.503106 -1.754026


