%chk=000258960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258960

0 1
O -3.382999 0.345257 0.065621
O 4.369257 0.208862 0.208766
O -1.991112 -1.470201 -0.023031
N -1.183309 0.741473 0.134362
C -5.726846 0.381168 0.016170
C -4.534230 -0.568853 -0.015141
C 0.234134 0.518014 0.147745
C 2.994387 0.206353 0.181856
C 1.066157 1.658423 0.235748
C 0.791051 -0.767331 0.077590
C 2.444494 1.505570 0.252986
C 2.178910 -0.927766 0.094498
C -7.035733 -0.395507 -0.058732
C -2.139953 -0.268298 0.050901
C 5.060744 -1.080076 0.141024
C 6.523812 -0.686653 0.194568
H -5.690198 0.997578 0.937879
H -5.652200 1.103327 -0.822731
H -4.485869 -1.251282 0.849776
H -4.446506 -1.142452 -0.952941
H 0.634722 2.656820 0.290158
H 0.144609 -1.650872 0.009267
H 3.111953 2.362932 0.319987
H 2.596812 -1.928393 0.039555
H -7.148662 -1.088834 0.783643
H -7.896391 0.284586 -0.036440
H -7.110559 -0.982738 -0.982103
H -1.510622 1.708761 0.189802
H 4.748876 -1.689082 1.006663
H 4.784452 -1.574660 -0.805851
H 7.176367 -1.565675 0.151701
H 6.788418 -0.022821 -0.640667
H 6.754034 -0.134029 1.116471


%chk=000258960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258960

0 1
O -3.414822 0.398844 0.070000
O 4.466607 0.270450 0.218069
O -2.024060 -1.504707 -0.021800
N -1.179088 0.708142 0.134992
C -5.839719 0.401221 0.001582
C -4.600842 -0.495990 -0.002949
C 0.232123 0.513705 0.149588
C 3.061396 0.275344 0.189669
C 1.054737 1.669806 0.245903
C 0.839809 -0.763349 0.073110
C 2.453637 1.553552 0.265827
C 2.247348 -0.879534 0.093232
C -7.136559 -0.436613 -0.063325
C -2.165602 -0.257248 0.054049
C 5.146114 -1.036875 0.140010
C 6.646206 -0.759419 0.190544
H -5.833317 1.023215 0.916247
H -5.789121 1.092831 -0.860137
H -4.582911 -1.181991 0.864666
H -4.532516 -1.104428 -0.924122
H 0.597167 2.665376 0.306013
H 0.211717 -1.653620 -0.001024
H 3.093543 2.437784 0.339978
H 2.688959 -1.878449 0.032521
H -7.218747 -1.118092 0.803902
H -8.025998 0.217763 -0.062562
H -7.172019 -1.052605 -0.981232
H -1.521414 1.669642 0.190135
H 4.825253 -1.671943 0.991822
H 4.862260 -1.545088 -0.804947
H 7.210248 -1.708151 0.132702
H 6.951637 -0.117963 -0.653571
H 6.915974 -0.248010 1.130208


