%chk=000189046.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189046

0 1
O 5.631050 0.728965 -0.844562
O 3.400365 2.202285 0.481639
O 2.859435 -3.128687 -0.759163
O 0.905537 2.472276 -0.433117
O -1.640766 2.573045 -0.316449
O -1.948279 -2.800469 0.037598
O -4.087301 2.780924 -0.069050
O -4.394500 -2.691714 0.346717
C 4.531240 0.196280 -0.084120
C 3.289306 1.091051 -0.418064
C 4.332922 -1.199887 -0.689406
C 3.100460 -1.884902 -0.098560
C 1.965320 0.376948 -0.267110
C 1.863269 -1.002022 -0.153075
C 4.851105 0.210806 1.419094
C 0.755720 1.136949 -0.289932
C 0.597296 -1.632576 -0.061923
C -0.508482 0.526041 -0.183958
C -0.564141 -0.882647 -0.075011
C 6.099789 -0.586693 1.769020
C -1.724416 1.352340 -0.186799
C -1.888400 -1.591581 0.019064
C -3.033473 0.674507 -0.021262
C -3.111169 -0.734783 0.083713
C -4.216336 1.426834 0.037721
C -4.369738 -1.330681 0.246899
C -5.486387 0.811670 0.202662
C -5.562309 -0.559712 0.307466
H 3.382430 1.480235 -1.463206
H 5.238949 -1.818112 -0.518217
H 4.264010 -1.117751 -1.792965
H 3.280243 -2.216533 0.957658
H 3.975984 -0.156641 1.989689
H 4.968392 1.268311 1.748631
H 0.550738 -2.727839 0.015682
H 5.924528 1.586205 -0.465593
H 5.930877 -1.667288 1.699010
H 6.930047 -0.342026 1.091765
H 6.431830 -0.372524 2.791328
H 2.680351 2.861153 0.312879
H 2.693265 -2.998682 -1.716980
H -0.016204 2.983842 -0.439035
H -6.384900 1.426236 0.244580
H -6.522883 -1.058133 0.434836
H -4.963513 3.247152 -0.015657
H -5.316259 -3.043370 0.464065


%chk=000189046-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189046

0 1
O 5.787693 0.839926 -0.679888
O 3.468709 2.375060 0.192567
O 2.961762 -3.152987 -0.962748
O 0.896245 2.519757 -0.477775
O -1.558963 2.626544 -0.311332
O -1.869485 -2.866102 0.174923
O -4.132570 2.853582 -0.063021
O -4.458450 -2.740322 0.469077
C 4.571536 0.236738 -0.094037
C 3.359670 1.101569 -0.528060
C 4.425495 -1.143213 -0.759574
C 3.191594 -1.894687 -0.226602
C 2.022288 0.389005 -0.322626
C 1.930984 -1.021971 -0.208768
C 4.709079 0.177302 1.452337
C 0.817005 1.148322 -0.320380
C 0.666575 -1.654112 -0.073907
C -0.461193 0.517144 -0.170734
C -0.519054 -0.900114 -0.047126
C 5.880897 -0.701193 1.935765
C -1.673879 1.338016 -0.163276
C -1.833566 -1.598455 0.100716
C -2.992882 0.687998 0.017124
C -3.072828 -0.750987 0.151885
C -4.190410 1.467831 0.063933
C -4.352228 -1.358679 0.332002
C -5.445183 0.830187 0.242310
C -5.524133 -0.557395 0.374531
H 3.483089 1.295504 -1.619111
H 5.332339 -1.746025 -0.588943
H 4.333693 -0.995601 -1.855141
H 3.389145 -2.256727 0.799278
H 3.757396 -0.169762 1.901084
H 4.840122 1.216390 1.804640
H 0.606300 -2.743214 0.005648
H 5.786616 1.794896 -0.404752
H 5.706843 -1.776877 1.745646
H 6.814740 -0.412490 1.421797
H 6.032453 -0.579472 3.023665
H 2.641777 2.897487 -0.012394
H 2.788348 -2.934402 -1.914869
H -0.106265 2.872002 -0.447789
H -6.361600 1.432454 0.277361
H -6.502724 -1.034303 0.512783
H -5.044017 3.241812 -0.002129
H -5.407964 -3.001634 0.594411


