%chk=000220488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220488

0 1
O 4.995184 -1.174958 0.070305
O -3.168365 -0.457666 -0.539147
O -2.997891 0.959676 1.253999
N 2.720347 0.539429 -0.180743
N -1.741027 1.276220 -0.702146
C 1.388962 0.952670 -0.736694
C 2.624841 -0.774279 0.537939
C 3.741919 0.442596 -1.276572
C 0.516317 1.488914 0.409495
C 4.005478 -1.118578 1.118345
C 5.095947 0.069368 -0.651265
C -0.748196 2.196423 -0.092243
C -2.646601 0.623275 0.141193
C -4.300411 -1.173297 0.100498
C -4.907629 -1.922734 -1.072885
C -3.736806 -2.067975 1.189856
H 0.867100 0.131142 -1.271486
H 1.555863 1.762610 -1.481197
H 2.275072 -1.601628 -0.116357
H 1.886454 -0.670713 1.361725
H 3.820360 1.433821 -1.771542
H 3.472356 -0.300267 -2.057525
H 1.114762 2.199333 1.020779
H 0.245680 0.671597 1.107019
H 4.326466 -0.381877 1.875884
H 4.041769 -2.140258 1.534325
H 5.859916 -0.159257 -1.414327
H 5.458782 0.854626 0.035444
H -0.500932 2.967402 -0.856788
H -1.238554 2.733247 0.757850
H -1.443572 0.783603 -1.544290
H -4.983706 -0.397875 0.513160
H -4.183427 -2.609134 -1.531438
H -5.228724 -1.230126 -1.862345
H -5.777759 -2.511108 -0.761222
H -2.936504 -2.715315 0.812348
H -3.311364 -1.464470 2.006899
H -4.510108 -2.711235 1.623747


%chk=000220488-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220488

0 1
O 5.044086 -1.235155 0.203293
O -3.274370 -0.454785 -0.638449
O -2.779799 0.780312 1.320183
N 2.794760 0.578961 -0.170164
N -1.653642 1.138242 -0.710165
C 1.484012 1.028534 -0.702251
C 2.687944 -0.619372 0.704672
C 3.776294 0.321734 -1.257272
C 0.574979 1.651659 0.375408
C 4.068528 -0.980680 1.276109
C 5.143870 -0.045691 -0.658727
C -0.758262 2.188483 -0.197509
C -2.575320 0.517447 0.104337
C -4.303787 -1.245086 0.119624
C -5.300748 -1.724822 -0.938163
C -3.607840 -2.383356 0.880207
H 0.942101 0.188677 -1.212422
H 1.690164 1.796632 -1.475215
H 2.282614 -1.497162 0.138612
H 1.999249 -0.407479 1.541906
H 3.878684 1.237188 -1.871199
H 3.439740 -0.509112 -1.929251
H 1.120540 2.486601 0.855537
H 0.333832 0.921031 1.168990
H 4.429944 -0.151220 1.921652
H 4.023834 -1.914241 1.861064
H 5.865967 -0.312259 -1.448340
H 5.533073 0.812520 -0.069223
H -0.561939 2.906470 -1.017138
H -1.302992 2.723611 0.599520
H -1.583388 0.815271 -1.674907
H -4.780883 -0.551456 0.836960
H -4.799813 -2.370754 -1.680963
H -5.753124 -0.869104 -1.467918
H -6.108027 -2.307330 -0.458310
H -3.069521 -3.045837 0.178761
H -2.892966 -1.977245 1.615546
H -4.355795 -2.988028 1.425804


