%chk=000257431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257431

0 1
O -1.031752 -1.637196 -0.551532
O -2.781225 -0.945942 1.986207
O 5.014403 -0.223459 -0.893165
O -0.149076 -3.633252 0.066479
C -2.445318 0.859619 0.465982
C -1.312142 1.854131 0.123545
C -3.506518 0.908609 -0.651609
C -3.842871 1.429472 0.727304
C -0.060716 1.080484 -0.396247
C -1.903719 2.722564 -1.036907
C -3.057257 1.928814 -1.686414
C 0.374876 -0.015659 0.617135
C -2.087353 -0.412791 1.151700
C -0.741896 -1.058743 0.759236
C 1.670188 -0.660790 0.115432
C 1.081472 2.055130 -0.760242
C -0.988730 2.714525 1.348819
C 2.804985 0.399118 -0.005852
C 2.411681 1.373193 -1.120185
C 2.309779 -1.812389 0.915206
C 4.024320 -0.510903 -0.272105
C 3.763190 -1.853756 0.401486
C 3.130316 1.144868 1.295804
C -0.708891 -2.965131 -0.768140
C -1.157064 -3.336670 -2.136760
H -3.986746 0.008075 -1.029741
H -3.966597 2.494937 0.901461
H -4.512186 0.852119 1.368681
H -0.367942 0.546128 -1.334074
H -1.132990 2.985582 -1.780016
H -2.278614 3.682328 -0.641743
H -3.887091 2.592958 -1.983324
H -2.716102 1.418598 -2.604847
H 0.543764 0.443788 1.622112
H -0.469573 -1.874453 1.471240
H 1.455876 -1.058300 -0.913468
H 1.256613 2.756615 0.081385
H 0.754876 2.685367 -1.612176
H -1.883625 3.214716 1.737743
H -0.583756 2.109576 2.168550
H -0.251812 3.491789 1.116566
H 2.329148 0.841603 -2.086767
H 3.202758 2.133289 -1.269109
H 1.785515 -2.772355 0.746436
H 2.271693 -1.629782 2.001371
H 3.921849 -2.678849 -0.316589
H 4.490101 -2.028776 1.213367
H 2.299808 1.789978 1.606361
H 3.336803 0.459293 2.125112
H 4.010191 1.788183 1.166734
H -1.565101 -2.479963 -2.696920
H -1.943551 -4.108443 -2.089725
H -0.324389 -3.760050 -2.720995


%chk=000257431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257431

0 1
O -0.993276 -1.656521 -0.622409
O -2.921557 -1.092285 1.811536
O 5.061399 -0.182094 -0.988329
O -0.330139 -3.765946 0.157998
C -2.443978 0.889144 0.492930
C -1.333466 1.927431 0.157106
C -3.478373 0.866072 -0.695787
C -3.876883 1.413228 0.667937
C -0.043916 1.179557 -0.358841
C -1.989237 2.781522 -0.990614
C -2.969722 1.845533 -1.751725
C 0.375391 0.017785 0.609169
C -2.114127 -0.428093 1.101063
C -0.746568 -1.029223 0.728143
C 1.697439 -0.619011 0.133837
C 1.130101 2.159395 -0.661166
C -1.035665 2.820146 1.391838
C 2.845184 0.422547 -0.010024
C 2.451344 1.460352 -1.077992
C 2.344881 -1.787763 0.927875
C 4.036748 -0.499952 -0.338703
C 3.755627 -1.888907 0.278363
C 3.242138 1.117153 1.332662
C -0.801044 -3.045182 -0.747523
C -1.257720 -3.508294 -2.113380
H -3.896749 -0.094763 -1.009658
H -4.026235 2.491138 0.781246
H -4.527645 0.787227 1.284938
H -0.316050 0.685789 -1.316950
H -1.232267 3.224805 -1.659881
H -2.545580 3.626646 -0.543377
H -3.791018 2.411862 -2.230490
H -2.445637 1.285246 -2.548639
H 0.520169 0.418992 1.634958
H -0.493387 -1.837310 1.436795
H 1.505648 -1.003648 -0.893917
H 1.328839 2.792833 0.222636
H 0.825851 2.851811 -1.469032
H -1.980418 3.170900 1.844134
H -0.479198 2.277362 2.178039
H -0.447997 3.714256 1.117037
H 2.319567 0.949123 -2.052752
H 3.252150 2.210745 -1.216056
H 1.774909 -2.726946 0.844876
H 2.420625 -1.540157 2.003681
H 3.773312 -2.634962 -0.539949
H 4.564429 -2.173102 0.975410
H 2.404667 1.693574 1.760986
H 3.571692 0.392716 2.098194
H 4.079024 1.814026 1.147643
H -1.021999 -2.757920 -2.884597
H -2.354422 -3.646241 -2.101414
H -0.787259 -4.472798 -2.355023


