%chk=000296469.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296469

0 1
O -4.800132 1.877901 -0.819593
O 2.942059 -3.595490 0.780215
O 3.551126 2.573596 0.400121
O 1.471585 2.409217 -0.475886
N 1.758506 -1.800196 0.005302
C -4.412216 1.760920 0.595105
C -4.471101 0.542303 -0.311961
C -3.238147 -0.081800 -0.921457
C -5.540688 1.991143 1.565525
C -3.107343 2.416661 0.947066
C -3.048239 -1.526074 -0.439149
C -1.727780 -2.081164 -0.914277
C -0.685128 -2.173299 -0.073405
C -1.690094 -2.517002 -2.342538
C 0.659323 -2.718499 -0.437628
C 1.636103 -0.450798 -0.190312
C 2.940591 -2.387801 0.655186
C 2.639316 0.421494 0.220145
C 3.950769 -1.433257 1.054323
C 3.815518 -0.094541 0.850483
C 2.443435 1.854082 -0.005393
C 3.474266 4.014949 0.231665
H -5.345797 -0.114518 -0.257508
H -3.331915 -0.045288 -2.027943
H -2.335850 0.525232 -0.689362
H -5.427652 1.372708 2.463599
H -5.587688 3.040731 1.886316
H -6.516406 1.761620 1.114100
H -2.315196 2.181858 0.218123
H -3.205572 3.511777 0.949147
H -2.753247 2.107790 1.937438
H -3.116076 -1.562392 0.668255
H -3.880507 -2.163367 -0.803370
H -0.775988 -1.861474 0.969077
H -0.666773 -2.637258 -2.727347
H -2.199914 -1.800847 -3.003429
H -2.197163 -3.485489 -2.468997
H 0.818566 -3.714405 0.058313
H 0.766950 -2.893627 -1.535157
H 0.723923 -0.064483 -0.680761
H 4.830959 -1.864134 1.533812
H 4.591132 0.615432 1.159533
H 3.264451 4.256136 -0.815636
H 2.692028 4.414713 0.884188
H 4.473302 4.342240 0.537271


%chk=000296469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296469

0 1
O -4.760905 2.248637 -0.724562
O 2.945252 -3.708255 1.087839
O 3.831110 2.503446 0.090930
O 1.687210 2.275250 -0.807501
N 1.817372 -1.851014 0.164910
C -4.690271 1.665981 0.688131
C -4.522632 0.769107 -0.513092
C -3.204447 0.198983 -1.005600
C -6.029652 1.664571 1.411404
C -3.504237 2.143906 1.510900
C -2.957864 -1.220569 -0.414100
C -1.646505 -1.856263 -0.866208
C -0.669406 -2.113913 0.053108
C -1.545611 -2.171867 -2.347818
C 0.671542 -2.759955 -0.189900
C 1.776495 -0.522193 -0.155143
C 2.963119 -2.465439 0.823960
C 2.836054 0.340734 0.133074
C 4.050614 -1.543590 1.119886
C 3.997899 -0.200425 0.787909
C 2.691460 1.760868 -0.248271
C 3.774912 3.941501 -0.257418
H -5.402404 0.158907 -0.780243
H -3.237461 0.155687 -2.111208
H -2.368205 0.869022 -0.739213
H -6.013719 0.961667 2.265867
H -6.261774 2.672205 1.802076
H -6.844324 1.368634 0.728491
H -2.571888 2.164278 0.924771
H -3.692225 3.169321 1.878134
H -3.355099 1.491877 2.392443
H -2.975770 -1.154265 0.690284
H -3.805298 -1.875159 -0.710127
H -0.862081 -1.848468 1.103248
H -0.593403 -2.647909 -2.630967
H -1.654426 -1.254483 -2.956623
H -2.365239 -2.852035 -2.651437
H 0.819011 -3.654431 0.442590
H 0.802187 -3.082502 -1.237677
H 0.870171 -0.150720 -0.643140
H 4.918452 -1.980738 1.620282
H 4.831052 0.469334 1.018269
H 3.648394 4.067037 -1.345934
H 2.931974 4.428639 0.261041
H 4.737863 4.349900 0.079833


