%chk=000253796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253796

0 1
O 6.805906 1.369592 -0.001870
O -4.226120 -2.943982 0.002419
O -2.081152 -3.175968 0.002699
O -5.163438 3.140935 -0.001510
O -6.348421 1.329747 -0.000138
N -0.504278 -1.129173 0.000936
N -3.102095 -2.480439 0.002068
N 0.712093 -0.467685 0.000275
N -5.284282 1.926457 -0.000688
C -1.663958 -0.381205 0.000469
C -2.942500 -1.035366 0.001078
C -4.055139 1.123611 -0.000319
C -4.124694 -0.261199 0.000694
C -1.635552 1.054116 -0.000650
C -2.791831 1.786693 -0.001022
C 3.112731 -0.529280 -0.000047
C 4.271309 -1.326999 0.000342
C 3.239499 0.878470 -0.000991
C 5.639071 0.651493 -0.001188
C 1.802428 -1.191518 0.000537
C 5.539867 -0.748421 -0.000218
C 4.490897 1.474920 -0.001566
C 8.059566 0.640723 -0.001647
H -5.105736 -0.771918 0.001196
H -0.660274 1.554531 -0.001190
H -2.775863 2.885271 -0.001863
H -0.561944 -2.178683 0.001837
H 4.186143 -2.415237 0.001090
H 2.340358 1.501167 -0.001272
H 1.832905 -2.295933 0.001302
H 6.423403 -1.378546 0.000108
H 4.609861 2.557247 -0.002299
H 8.147916 0.036219 -0.908669
H 8.148410 0.037702 0.906317
H 8.791613 1.460156 -0.002521


%chk=000253796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253796

0 1
O 6.981866 1.310826 -0.001891
O -4.195646 -3.061011 0.002501
O -1.920232 -3.175265 0.002073
O -5.398549 3.100750 -0.001309
O -6.549005 1.124940 0.000146
N -0.499475 -0.992228 0.000676
N -3.043207 -2.486596 0.001952
N 0.695643 -0.288141 -0.000052
N -5.449984 1.806482 -0.000334
C -1.701369 -0.323259 0.000362
C -2.964968 -1.027960 0.001062
C -4.173607 1.073129 -0.000115
C -4.190231 -0.325854 0.000833
C -1.740479 1.111289 -0.000666
C -2.948362 1.800673 -0.000889
C 3.123442 -0.427415 -0.000139
C 4.266198 -1.273101 0.000486
C 3.323493 0.988457 -0.001310
C 5.746574 0.664601 -0.001250
C 1.794728 -1.026529 0.000422
C 5.571296 -0.743312 -0.000053
C 4.613460 1.527304 -0.001862
C 8.194792 0.482918 -0.001491
H -5.134326 -0.876365 0.001362
H -0.784820 1.638237 -0.001233
H -2.982300 2.893157 -0.001633
H -0.566506 -2.033585 0.001594
H 4.131600 -2.361907 0.001402
H 2.447989 1.644658 -0.001780
H 1.747667 -2.133277 0.001364
H 6.429456 -1.420902 0.000472
H 4.783294 2.607950 -0.002764
H 8.244851 -0.151237 -0.906872
H 8.245327 -0.149644 0.904977
H 9.028089 1.199712 -0.002341


