%chk=000238641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238641

0 1
O -2.559191 -0.452723 2.602257
O -1.749977 -2.107011 1.333124
O 5.101836 0.808705 -0.706815
O 4.655041 -1.295186 -0.923137
N -1.108015 0.982074 0.373190
N 4.326332 -0.137698 -0.704563
C -2.275766 0.081568 0.268039
C -3.588488 0.896390 0.435657
C -2.367579 -0.642940 -1.101159
C -4.337134 0.811282 -0.901685
C -3.801262 -0.442097 -1.610916
C -2.146419 -0.969448 1.401770
C 0.217396 0.653469 0.094277
C 1.163487 1.719527 0.080650
C 0.652158 -0.674102 -0.144764
C 2.496801 1.456196 -0.176546
C 1.990051 -0.926322 -0.400760
C 2.918417 0.133687 -0.425305
H -3.398562 1.943867 0.729859
H -4.203383 0.479357 1.258531
H -2.114171 -1.717938 -1.018083
H -1.637146 -0.218148 -1.816510
H -5.428872 0.759056 -0.751768
H -4.150926 1.713469 -1.512478
H -3.827923 -0.332633 -2.708412
H -4.426098 -1.323081 -1.373837
H -1.325820 1.956505 0.586200
H 0.843209 2.741059 0.271391
H -0.047586 -1.511523 -0.102961
H -2.456074 -1.100933 3.354221
H 3.237291 2.265194 -0.192948
H 2.341074 -1.949723 -0.584022


%chk=000238641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238641

0 1
O -1.698384 -0.314824 2.611580
O -2.370926 -2.234619 1.497304
O 5.115364 0.964307 -0.577764
O 4.710323 -1.277211 -0.769909
N -1.227356 0.934785 0.198965
N 4.313038 -0.055668 -0.588062
C -2.316939 -0.055750 0.274659
C -3.669333 0.717253 0.472155
C -2.513102 -0.833757 -1.078129
C -4.147500 1.008397 -0.967621
C -3.855674 -0.329560 -1.691619
C -2.125604 -1.009762 1.477455
C 0.119278 0.654175 0.009871
C 1.055236 1.738813 0.006321
C 0.612674 -0.675660 -0.186440
C 2.421044 1.512120 -0.186297
C 1.982185 -0.903125 -0.381086
C 2.883663 0.186629 -0.383944
H -3.544415 1.607247 1.115321
H -4.397437 0.051566 0.971561
H -2.528826 -1.921937 -0.901030
H -1.667048 -0.607519 -1.747572
H -5.212388 1.296738 -1.004307
H -3.556497 1.829804 -1.415289
H -3.794277 -0.216649 -2.787511
H -4.666815 -1.050412 -1.476942
H -1.459833 1.880753 0.505039
H 0.691073 2.762178 0.156962
H -0.068433 -1.530384 -0.177456
H -1.605211 -0.947383 3.374741
H 3.142559 2.333226 -0.190316
H 2.372260 -1.913872 -0.528143


