%chk=000227846.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227846

0 1
O 0.420990 -2.271619 -1.228114
O -5.687283 0.187112 0.644870
O 6.148669 -0.200314 -0.650955
C 0.661407 -0.147096 -0.299237
C -0.075096 1.133039 0.190984
C -1.459667 1.194069 -0.467134
C -2.336449 -0.026379 -0.055005
C 2.098960 -0.215501 0.327060
C -0.197075 -1.444278 -0.195613
C -1.672655 -1.273044 -0.653838
C 2.859843 1.059197 -0.175309
C -3.706572 0.360619 -0.708105
C 0.722549 2.398687 -0.183618
C -2.367836 2.405261 -0.197169
C 2.169404 2.344270 0.310790
C -3.789013 1.900913 -0.538210
C 2.844160 -1.452903 -0.235368
C -2.521311 -0.167223 1.461115
C 2.079375 -0.257423 1.863904
C 4.337317 1.059832 0.248469
C -0.130600 -2.214994 1.121149
C 4.321287 -1.507078 0.151712
C -4.891497 -0.359352 -0.085679
C 5.044808 -0.215164 -0.152606
C -5.037021 -1.811289 -0.456370
H 0.820382 -0.028810 -1.409652
H -0.176411 1.088107 1.302508
H -1.300804 1.147935 -1.577061
H -2.260512 -2.177182 -0.408299
H -1.677569 -1.213068 -1.761710
H 2.832639 1.049374 -1.294962
H -3.679339 0.114136 -1.794463
H 0.219579 3.289065 0.240211
H 0.709887 2.541885 -1.281983
H -2.087361 3.274365 -0.811729
H -2.305031 2.732255 0.854218
H 2.721447 3.231841 -0.053741
H 2.199267 2.407123 1.414750
H -4.504876 2.163920 0.265324
H -4.171825 2.370789 -1.457405
H 2.740426 -1.477224 -1.340366
H 2.340585 -2.382063 0.103399
H -1.557464 -0.222701 1.985406
H -3.068788 0.687385 1.880331
H -3.085253 -1.068855 1.721355
H 3.021937 0.108419 2.287123
H 1.275929 0.365805 2.274353
H 1.939493 -1.274386 2.245082
H 4.429795 1.186351 1.347010
H 4.861673 1.931682 -0.193912
H 0.894134 -2.561463 1.323735
H -0.441570 -1.579948 1.963531
H -0.779563 -3.095394 1.123385
H 4.820936 -2.346827 -0.375435
H 4.433440 -1.729371 1.232520
H 0.055319 -3.170628 -1.236378
H -5.448670 -1.919915 -1.468355
H -4.078225 -2.347763 -0.429900
H -5.732301 -2.324285 0.224182


%chk=000227846-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227846

0 1
O 0.385194 -2.505513 -0.952410
O -5.716320 -0.040402 0.612028
O 6.178992 -0.144854 -1.116823
C 0.675731 -0.216320 -0.164476
C -0.068265 1.091810 0.303537
C -1.486491 1.155725 -0.302210
C -2.387539 -0.056554 0.074734
C 2.186440 -0.243577 0.355379
C -0.196567 -1.520370 0.021241
C -1.672592 -1.311290 -0.465223
C 2.872338 1.048591 -0.238153
C -3.703288 0.355290 -0.717863
C 0.710271 2.363222 -0.129414
C -2.388843 2.382160 -0.029116
C 2.197874 2.341637 0.260148
C -3.812572 1.897044 -0.467362
C 2.954430 -1.469058 -0.232452
C -2.708403 -0.133231 1.591720
C 2.304236 -0.241752 1.910229
C 4.407672 1.111665 0.003557
C -0.152185 -2.181482 1.418667
C 4.479796 -1.452238 0.064262
C -4.952818 -0.429638 -0.314781
C 5.131435 -0.163160 -0.414810
C -5.245117 -1.711606 -1.086677
H 0.760003 -0.134232 -1.272828
H -0.149377 1.099036 1.410256
H -1.348200 1.100812 -1.407981
H -2.237043 -2.236895 -0.221935
H -1.624386 -1.236574 -1.571238
H 2.724585 0.997132 -1.340283
H -3.503215 0.152071 -1.789980
H 0.216342 3.254754 0.301664
H 0.630865 2.459314 -1.233761
H -2.068080 3.277491 -0.589224
H -2.374034 2.645240 1.045856
H 2.712415 3.222658 -0.172763
H 2.311291 2.421903 1.360091
H -4.570818 2.090875 0.310971
H -4.148894 2.408800 -1.386674
H 2.798794 -1.497939 -1.327832
H 2.526908 -2.410640 0.147852
H -1.814281 0.029825 2.215383
H -3.461628 0.617539 1.883474
H -3.124505 -1.122830 1.855552
H 3.293544 0.123925 2.239295
H 1.551676 0.406511 2.389981
H 2.185082 -1.255247 2.326242
H 4.607175 1.285819 1.082162
H 4.845383 1.965262 -0.545060
H 0.827102 -2.658907 1.580802
H -0.328154 -1.468929 2.239337
H -0.926801 -2.969735 1.490185
H 4.984191 -2.309579 -0.414879
H 4.645471 -1.537754 1.158392
H -0.174028 -3.325188 -0.918515
H -5.617497 -1.451765 -2.097498
H -4.329810 -2.313707 -1.230062
H -6.015485 -2.305250 -0.569917


