%chk=000196521.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196521

0 1
I 0.006375 0.234307 -1.830041
O -0.424514 -1.671820 0.686873
O -1.984448 -2.853435 1.759276
C 0.954606 -1.808900 0.210334
C 1.452211 -3.184849 0.718144
C 0.909473 -1.692525 -1.311001
C 0.250147 -3.842959 1.397837
C 2.274618 -1.835728 -1.974149
C -0.860307 -2.819701 1.342320
C 3.350735 -1.043788 -1.289323
C 3.663645 0.209218 -1.632260
C 4.719805 1.014648 -0.931474
C 4.122141 2.295736 -0.419145
C 3.749001 2.466856 0.852012
C 3.140655 3.737392 1.371722
C 1.815332 3.498677 2.040991
C -0.512503 2.604230 2.125741
C 0.826430 2.798170 1.476527
C -3.221084 0.193416 0.702033
C -1.230718 1.398829 1.592488
C -2.506220 1.417390 1.195885
C -3.903414 0.449125 -0.609563
C -5.897280 0.290933 -2.155219
C -5.165043 0.089514 -0.860620
C -5.069280 0.883173 -3.293980
H 1.492573 -0.956766 0.684764
H 2.292152 -3.051885 1.424214
H 1.846425 -3.811609 -0.101068
H 0.183998 -2.419997 -1.736719
H -0.063760 -4.778750 0.895594
H 0.459102 -4.126296 2.448309
H 2.559648 -2.911986 -1.990551
H 2.203431 -1.551708 -3.048569
H 3.859370 -1.564673 -0.480590
H 3.147415 0.735530 -2.439738
H 5.546247 1.239048 -1.641271
H 5.194168 0.439898 -0.109215
H 3.994659 3.072969 -1.171328
H 3.857249 1.680816 1.599729
H 3.851439 4.208783 2.084533
H 3.004430 4.484662 0.559313
H 1.710984 3.957229 3.022187
H -1.116152 3.527589 1.979166
H -0.408256 2.498473 3.228129
H 0.938668 2.335731 0.491590
H -3.934948 -0.149759 1.481095
H -2.511446 -0.662794 0.574554
H -0.634378 0.483059 1.553289
H -3.111282 2.322650 1.214276
H -3.274065 0.938358 -1.353178
H -6.315122 -0.686892 -2.479433
H -6.776491 0.943822 -1.963358
H -5.771343 -0.400569 -0.096008
H -4.198089 0.256853 -3.521122
H -5.662902 0.971000 -4.209782
H -4.698888 1.883503 -3.041719


%chk=000196521-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196521

0 1
I -0.101676 0.388371 -1.565605
O -0.938069 -2.847134 -1.086845
O -2.364807 -4.656659 -0.778338
C 0.540902 -2.605694 -1.051378
C 1.164179 -4.006717 -1.326462
C 0.896498 -1.541113 -2.092694
C 0.123443 -4.972200 -0.721163
C 2.418791 -1.315657 -2.264755
C -1.207887 -4.219918 -0.853213
C 3.163888 -0.888525 -1.016228
C 3.967327 0.202800 -0.943736
C 4.709903 0.654102 0.303775
C 4.434633 2.115299 0.630914
C 3.677599 2.545180 1.672438
C 3.402571 3.996061 2.008962
C 1.934747 4.405749 1.939705
C -0.494432 4.216069 1.204911
C 0.951563 3.749102 1.269858
C -3.623069 1.769968 1.494310
C -1.487203 3.163439 1.675968
C -2.606298 2.788733 1.001319
C -3.967561 0.715689 0.452337
C -5.641974 -0.560025 -1.028100
C -5.227937 0.472516 0.005141
C -4.497344 -1.380807 -1.654589
H 0.782774 -2.255358 -0.031099
H 2.166771 -4.102507 -0.879925
H 1.250521 -4.174587 -2.415837
H 0.430485 -1.803327 -3.058403
H 0.057929 -5.949452 -1.223638
H 0.307488 -5.159304 0.353800
H 2.839801 -2.274391 -2.643580
H 2.574769 -0.569444 -3.064126
H 3.045881 -1.517644 -0.120220
H 4.080454 0.841550 -1.833982
H 5.801771 0.520609 0.145959
H 4.426640 0.012607 1.159495
H 4.874424 2.858596 -0.053034
H 3.213368 1.801984 2.339724
H 3.768563 4.205548 3.037056
H 3.997099 4.653740 1.340413
H 1.678987 5.335766 2.473196
H -0.752385 4.504553 0.164730
H -0.598497 5.131768 1.824144
H 1.189368 2.820451 0.729232
H -4.557103 2.292829 1.789956
H -3.224262 1.287796 2.410888
H -1.264124 2.694973 2.647959
H -2.827504 3.251290 0.025348
H -3.122090 0.136987 0.054507
H -6.377223 -1.249369 -0.559249
H -6.207309 -0.039156 -1.831148
H -6.052547 1.074820 0.424404
H -3.954713 -1.975786 -0.898997
H -4.892241 -2.085283 -2.409199
H -3.759683 -0.724691 -2.152408


