%chk=000188429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188429

0 1
O -0.416641 0.120592 -0.546197
O -4.389934 -2.516720 1.090455
O -6.383087 -1.386296 0.471336
O 5.156078 -0.259362 1.679973
O 5.689586 -1.269817 -1.020522
C -1.154589 2.319521 0.142383
C 0.342913 2.144638 0.522304
C -1.466982 1.099801 -0.766183
C 0.519910 0.601891 0.461985
C -1.510631 3.640603 -0.523797
C 1.312785 2.884446 -0.392157
C -2.801096 0.459781 -0.450278
C 1.890699 0.109032 0.073549
C -2.830171 -0.796823 0.205807
C -3.975159 1.119086 -0.819533
C 2.927165 0.181934 1.015795
C 2.130627 -0.419228 -1.202395
C -4.077177 -1.316421 0.462916
C -5.254405 0.579620 -0.552157
C 4.199509 -0.287098 0.673203
C -5.275422 -0.637312 0.091040
C 3.395577 -0.902721 -1.542794
C 4.431848 -0.844369 -0.604544
C -5.852696 -2.595967 1.106391
C 6.352710 0.498015 1.349016
C 6.169400 -2.444914 -0.309199
H -1.755868 2.231711 1.082596
H 0.503221 2.496731 1.567068
H -1.387176 1.336027 -1.850653
H 0.194701 0.125913 1.416798
H -2.593633 3.727471 -0.676751
H -1.201607 4.491889 0.095580
H -1.029496 3.759203 -1.502250
H 2.355156 2.695322 -0.103392
H 1.206612 2.561714 -1.435771
H 1.158722 3.967891 -0.356251
H -1.904224 -1.310911 0.465699
H -3.920401 2.079498 -1.331440
H 2.765834 0.593280 2.010541
H 1.308236 -0.464262 -1.921928
H -6.162849 1.098278 -0.841788
H 3.591076 -1.326897 -2.526937
H -6.178636 -2.596446 2.154506
H -6.150549 -3.456596 0.493353
H 7.011855 0.269681 2.192986
H 6.102506 1.561539 1.314573
H 6.780353 0.159594 0.397798
H 7.184268 -2.557177 -0.704107
H 5.544272 -3.303728 -0.568152
H 6.171512 -2.266141 0.771924


%chk=000188429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188429

0 1
O -0.396097 0.074187 -0.510567
O -4.746403 -2.097487 1.507033
O -6.596967 -1.273038 0.220796
O 5.369322 -0.250448 1.628983
O 5.878180 -1.336027 -1.045457
C -1.122886 2.197192 0.404192
C 0.434861 2.119745 0.477185
C -1.465528 1.100109 -0.653309
C 0.629856 0.569559 0.447304
C -1.736639 3.570795 0.092016
C 1.160041 2.855709 -0.667434
C -2.835769 0.466456 -0.487184
C 2.002427 0.058962 0.045813
C -3.022015 -0.574288 0.469877
C -3.930152 0.937250 -1.253316
C 3.062319 0.115309 0.983549
C 2.256811 -0.450737 -1.249683
C -4.311086 -1.083448 0.612566
C -5.243380 0.414380 -1.089485
C 4.358368 -0.318928 0.639110
C -5.401236 -0.600084 -0.144335
C 3.546139 -0.913496 -1.591537
C 4.599156 -0.867709 -0.654317
C -6.159923 -2.362953 1.134032
C 6.522060 0.610818 1.276436
C 6.347800 -2.524174 -0.294568
H -1.521479 1.847094 1.379469
H 0.790568 2.518872 1.447033
H -1.384012 1.536499 -1.671161
H 0.377892 0.172270 1.455974
H -2.840165 3.507728 0.086795
H -1.445541 4.318395 0.852440
H -1.414971 3.947779 -0.895889
H 2.252022 2.714326 -0.589984
H 0.849185 2.479272 -1.658703
H 0.955606 3.940382 -0.629584
H -2.173570 -0.973654 1.030302
H -3.762493 1.719528 -2.002643
H 2.907550 0.504517 1.996901
H 1.430791 -0.509298 -1.963372
H -6.086843 0.779177 -1.680812
H 3.755907 -1.333577 -2.580746
H -6.781324 -2.339824 2.042637
H -6.216115 -3.327840 0.595152
H 7.227465 0.513725 2.115885
H 6.193959 1.663608 1.180870
H 6.990736 0.278442 0.332887
H 7.356367 -2.736397 -0.681262
H 5.680445 -3.384933 -0.490216
H 6.383461 -2.318250 0.790724


