%chk=000289580.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289580

0 1
O 0.617316 1.346737 1.070964
O 2.219829 2.224305 -0.383845
O 0.716613 -2.853910 -1.334517
O -2.220128 0.606408 -0.392247
O -1.619961 -1.231690 0.916478
C 1.427442 1.011344 -0.120462
C 2.368879 -0.135855 0.245094
C 0.521545 0.679279 -1.326723
C 1.605277 -1.471659 0.505661
C -0.277488 -0.633224 -1.087619
C 0.683632 -1.772915 -0.679386
C 0.263730 2.775705 0.932452
C 1.387037 3.379770 0.029953
C 2.565297 -2.631645 0.814848
C -1.400473 -0.474351 -0.056169
C -3.421268 0.819478 0.478956
C -4.586760 -0.060856 0.021040
H 2.932303 0.151493 1.149160
H 3.095503 -0.268755 -0.578809
H 1.168680 0.553166 -2.214415
H -0.178958 1.506470 -1.533316
H 0.935103 -1.297683 1.372998
H -0.765126 -0.932585 -2.035346
H 0.247094 3.194847 1.950641
H -0.735446 2.876394 0.467467
H 0.968828 3.886077 -0.860299
H 2.053418 4.072620 0.568741
H 3.230376 -2.836531 -0.043204
H 3.189766 -2.389589 1.693703
H 2.006660 -3.559031 1.025671
H -3.136026 0.601583 1.522937
H -3.640765 1.892715 0.357413
H -5.485740 0.169606 0.622564
H -4.826193 0.121479 -1.040815
H -4.347790 -1.128603 0.157330


%chk=000289580-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289580

0 1
O 0.567604 1.424541 0.958075
O 2.094047 2.266601 -0.650481
O 0.701102 -2.882559 -1.251902
O -2.319626 0.515214 -0.450226
O -1.619608 -1.198032 0.969870
C 1.349035 1.044140 -0.241969
C 2.319619 -0.071330 0.157469
C 0.419699 0.642023 -1.402763
C 1.585930 -1.404827 0.503493
C -0.337591 -0.682286 -1.096539
C 0.653819 -1.779742 -0.651280
C 0.357707 2.884409 0.854575
C 1.691861 3.370327 0.255358
C 2.570762 -2.531403 0.855058
C -1.450895 -0.503966 -0.057147
C -3.509908 0.746425 0.430020
C -4.652408 -0.200682 0.054346
H 2.906459 0.264205 1.030256
H 3.024055 -0.234599 -0.680343
H 1.041204 0.507518 -2.307190
H -0.304266 1.447892 -1.608796
H 0.925776 -1.197470 1.371060
H -0.829760 -1.032520 -2.023971
H 0.158741 3.254552 1.871750
H -0.500143 3.107238 0.190026
H 1.598862 4.286144 -0.351494
H 2.462800 3.508173 1.036858
H 3.227323 -2.766814 -0.001736
H 3.203073 -2.236768 1.712125
H 2.031393 -3.456762 1.118603
H -3.198544 0.606717 1.479920
H -3.767629 1.801525 0.243496
H -5.547167 0.036400 0.659590
H -4.918846 -0.095000 -1.011453
H -4.372274 -1.248688 0.252242


