%chk=000183492.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183492

0 1
O 2.449599 0.373750 0.980165
O -0.480904 -1.477478 1.849206
O 1.327984 -2.253004 0.740422
O -3.424559 0.058610 -1.978882
C 0.404366 1.122521 1.920210
C 1.423826 -0.048554 1.876950
C 4.625850 0.388227 0.136377
C 5.968416 -0.331565 -0.027619
C 3.667877 -0.429881 1.000165
C 6.935807 0.488580 -0.891375
C -0.027686 1.518077 0.509430
C 1.027692 2.303790 2.666993
C 8.282723 -0.228315 -1.060777
C 0.812208 -1.364496 1.371272
C 9.249639 0.583786 -1.919479
C -1.216176 -2.696728 1.546545
C -2.182826 -2.481957 0.413820
C -2.325163 -1.233999 -0.197800
C -2.956320 -3.574068 -0.014113
C -3.253783 -1.107923 -1.235698
C -3.870809 -3.418066 -1.060918
C -4.037613 -2.180998 -1.684965
C -3.220046 1.301799 -1.374578
C -3.615675 1.590091 -0.063876
C -2.681207 2.270423 -2.234260
C -3.460048 2.901273 0.394414
C -2.541739 3.571707 -1.750629
C -2.924869 3.887905 -0.440679
H -0.492211 0.758291 2.488227
H 1.849312 -0.250542 2.889280
H 4.768008 1.391553 0.583898
H 4.157298 0.573575 -0.852304
H 6.420548 -0.522853 0.964797
H 5.808542 -1.327660 -0.486071
H 3.433037 -1.419041 0.562162
H 4.016889 -0.542653 2.038228
H 6.485475 0.679649 -1.884801
H 7.095731 1.485863 -0.438358
H -0.613443 0.716575 0.029380
H -0.650321 2.419782 0.510599
H 0.843549 1.714496 -0.131845
H 1.256215 2.059368 3.708645
H 0.355592 3.168948 2.670382
H 1.963960 2.619046 2.184642
H 8.735309 -0.420101 -0.068288
H 8.123763 -1.224610 -1.518325
H 10.207564 0.064673 -2.035841
H 9.459109 1.563659 -1.475704
H 8.847760 0.758851 -2.924078
H -0.498619 -3.514076 1.321649
H -1.740813 -2.894096 2.502505
H -1.705455 -0.385299 0.120841
H -2.842930 -4.546169 0.459370
H -4.463312 -4.271504 -1.392622
H -4.742830 -2.037781 -2.499935
H -4.039999 0.818857 0.574752
H -2.390847 1.998496 -3.246746
H -3.762777 3.154018 1.410518
H -2.128204 4.345398 -2.397664
H -2.809567 4.905478 -0.074112


%chk=000183492-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183492

0 1
O 2.808134 0.587930 0.160861
O -0.153836 -1.595996 0.322769
O 1.527574 -1.520191 -1.300845
O -5.026846 0.057457 -0.669772
C 0.511465 1.298459 0.553997
C 1.514318 0.105615 0.605035
C 5.220834 0.410145 0.071364
C 6.482326 -0.452723 0.303520
C 3.929229 -0.339486 0.407776
C 7.790668 0.302855 -0.021688
C 0.364335 1.858086 -0.879719
C 0.953274 2.399015 1.544424
C 9.061438 -0.543678 0.217471
C 1.014793 -1.074160 -0.253235
C 10.363337 0.224070 -0.098899
C -0.840453 -2.701564 -0.415935
C -2.335929 -2.537461 -0.259132
C -2.940645 -1.279879 -0.498411
C -3.142005 -3.650939 0.080178
C -4.341035 -1.148669 -0.383833
C -4.546763 -3.509378 0.163533
C -5.155702 -2.258302 -0.063451
C -4.439987 1.320273 -0.392214
C -3.652445 1.562465 0.757842
C -4.773336 2.365097 -1.281467
C -3.183542 2.872645 1.001848
C -4.302217 3.670416 -1.020475
C -3.501939 3.929858 0.117360
H -0.464573 0.891634 0.883808
H 1.572062 -0.260719 1.656592
H 5.271968 1.328791 0.687956
H 5.174187 0.735050 -0.985869
H 6.512116 -0.792412 1.360483
H 6.425787 -1.370480 -0.318231
H 3.816090 -1.239186 -0.230168
H 3.921897 -0.653507 1.477028
H 7.767530 0.638004 -1.079599
H 7.843907 1.224493 0.594864
H 0.023436 1.085161 -1.594028
H -0.375708 2.678581 -0.891949
H 1.332302 2.244970 -1.242040
H 1.007372 2.015027 2.581040
H 0.234631 3.239082 1.526785
H 1.949105 2.785856 1.267861
H 9.078983 -0.884270 1.273156
H 9.011114 -1.461121 -0.403988
H 11.257213 -0.402068 0.078092
H 10.452888 1.128114 0.532727
H 10.383378 0.550998 -1.155771
H -0.514291 -2.649810 -1.472028
H -0.492372 -3.657024 0.013745
H -2.322415 -0.416498 -0.763788
H -2.676593 -4.623707 0.276534
H -5.168731 -4.373736 0.419445
H -6.238844 -2.121940 0.004502
H -3.419688 0.748889 1.451996
H -5.393654 2.141719 -2.154573
H -2.575881 3.065657 1.893421
H -4.558625 4.483171 -1.708777
H -3.136736 4.943018 0.315375


