%chk=000249837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249837

0 1
O 0.011582 -1.527202 -1.631463
O -2.897866 -0.119072 -0.007680
O 2.978268 0.864459 1.583085
O -0.476421 2.541668 -0.312379
O 1.462957 -1.676097 0.097850
O -2.144421 -2.077362 0.847642
O 2.223450 1.328281 -0.505650
O -0.121532 3.833450 1.510737
C -0.180692 0.343862 1.608013
C -0.574916 -0.276914 0.241724
C 0.766354 1.569067 1.470406
C 0.407874 -0.686036 2.564069
C 0.439751 -1.231932 -0.361618
C -1.910236 -0.981747 0.402482
C 2.025133 1.256769 0.681150
C 0.031240 2.785953 0.930780
C 0.817168 -2.453580 -2.433275
C -4.283573 -0.598870 0.027561
C 4.256614 0.366962 1.060573
C -1.355890 3.547080 -0.922768
C 0.586236 -3.872741 -1.962265
C -4.538621 -1.499669 -1.160969
C 5.101839 1.518690 0.563556
C -2.777928 3.228829 -0.515530
H -1.131732 0.742955 2.061997
H -0.706833 0.574529 -0.511795
H 1.094373 1.845810 2.522084
H 1.422664 -0.998541 2.258201
H 0.480700 -0.306011 3.588171
H -0.200279 -1.602459 2.592210
H 1.874767 -2.142850 -2.364398
H 0.410863 -2.251707 -3.441411
H -4.834664 0.357786 -0.020033
H -4.455142 -1.106033 0.993760
H 4.035327 -0.380328 0.276303
H 4.664423 -0.121140 1.964815
H -1.154286 3.374765 -1.996290
H -1.024745 4.554513 -0.615067
H 1.018387 -4.037095 -0.962963
H -0.484713 -4.104514 -1.886513
H 1.040324 -4.602286 -2.642469
H -4.209083 -1.033799 -2.099454
H -3.991546 -2.450299 -1.066375
H -5.603173 -1.741692 -1.262248
H 4.658806 1.978208 -0.334232
H 5.194920 2.309881 1.318484
H 6.113175 1.188649 0.298515
H -2.967471 2.142158 -0.560690
H -2.989541 3.549192 0.513030
H -3.504389 3.720456 -1.172761


%chk=000249837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249837

0 1
O 0.061484 -1.797789 -1.624103
O -2.959487 -0.265779 -0.127572
O 3.021307 0.880713 1.474946
O -0.671437 2.641197 -0.227953
O 1.605247 -1.573702 0.102753
O -2.054527 -2.258397 0.681435
O 2.115171 1.358585 -0.624485
O 0.162375 3.965786 1.497413
C -0.255315 0.341429 1.520704
C -0.571642 -0.337728 0.141324
C 0.734441 1.570383 1.431662
C 0.197824 -0.648094 2.620319
C 0.497589 -1.290433 -0.404359
C -1.900755 -1.091056 0.255430
C 2.001048 1.272755 0.619293
C 0.066006 2.853950 0.928229
C 0.963420 -2.774740 -2.310812
C -4.330369 -0.867596 -0.047775
C 4.288397 0.412731 0.825508
C -1.405249 3.813419 -0.802057
C 0.724059 -4.192062 -1.783789
C -4.643783 -1.655924 -1.322021
C 5.216060 1.594160 0.531287
C -2.813936 3.888313 -0.208050
H -1.219958 0.784836 1.841991
H -0.708649 0.464370 -0.605130
H 1.060374 1.790113 2.462118
H 1.225129 -1.000073 2.441759
H 0.159610 -0.155270 3.608966
H -0.467679 -1.528917 2.648624
H 2.007955 -2.453263 -2.153815
H 0.689928 -2.672043 -3.372918
H -4.989243 0.006908 0.074967
H -4.378885 -1.512868 0.846988
H 4.017317 -0.139832 -0.089903
H 4.714045 -0.277369 1.571118
H -1.418448 3.603626 -1.883109
H -0.821304 4.726652 -0.594698
H 1.008649 -4.269310 -0.721382
H -0.337122 -4.476080 -1.886102
H 1.335327 -4.910977 -2.360709
H -4.538512 -1.018002 -2.216263
H -3.967991 -2.521596 -1.419976
H -5.683567 -2.030460 -1.282455
H 4.769383 2.265069 -0.221163
H 5.423339 2.171941 1.448577
H 6.178093 1.219861 0.134045
H -3.339648 2.926662 -0.340657
H -2.774409 4.130814 0.867469
H -3.394163 4.679084 -0.718763


