%chk=000219316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219316

0 1
O 2.626814 2.150078 0.635807
O 2.841223 1.643445 -1.523470
C 2.603789 -0.202008 0.134075
C 1.236021 -0.346821 0.844172
C 0.030879 -0.119658 -0.076644
C 3.736218 -0.412365 1.170643
C 2.742782 -1.148777 -1.080909
C -1.287585 -0.227639 0.701763
C -2.497365 -0.012188 -0.217624
C 2.708427 1.234276 -0.393674
C -3.817147 -0.118330 0.558291
C 5.137252 -0.206863 0.605142
C 2.638996 -2.626228 -0.723150
C -5.026482 0.095840 -0.361623
C -6.347949 -0.009959 0.412616
C -7.554942 0.202419 -0.498514
H 1.173181 -1.355387 1.297663
H 1.193812 0.371151 1.690711
H 0.039559 -0.856339 -0.904369
H 0.098845 0.875233 -0.559356
H 3.578540 0.284867 2.021220
H 3.649866 -1.433979 1.590933
H 3.712315 -0.952368 -1.585640
H 1.971507 -0.890139 -1.836770
H -1.302862 0.515681 1.522509
H -1.358557 -1.218384 1.190335
H -2.427252 0.979070 -0.706283
H -2.483519 -0.753677 -1.039654
H -3.887718 -1.108623 1.047968
H -3.832276 0.625271 1.378400
H 5.280842 0.810650 0.221509
H 5.898096 -0.369595 1.377971
H 5.353727 -0.900794 -0.216551
H 3.418283 -2.930166 -0.014362
H 2.750712 -3.250982 -1.617850
H 1.668687 -2.870840 -0.274856
H -4.957769 1.086060 -0.851745
H -5.012994 -0.646152 -1.182929
H -6.363917 0.734027 1.233001
H -6.419180 -1.001029 0.901905
H 2.687531 3.087462 0.314582
H -7.534913 1.191104 -0.970995
H -7.590868 -0.542795 -1.301257
H -8.493010 0.125950 0.062409


%chk=000219316-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219316

0 1
O 2.634400 2.219303 0.537971
O 2.999586 1.574956 -1.650848
C 2.663060 -0.183174 0.096975
C 1.261247 -0.324094 0.786175
C 0.033411 -0.096869 -0.122690
C 3.760526 -0.371806 1.203375
C 2.843504 -1.178615 -1.090419
C -1.298412 -0.239302 0.648710
C -2.543935 0.021810 -0.227524
C 2.787199 1.239907 -0.463804
C -3.875743 -0.156726 0.535634
C 5.220474 -0.233698 0.722779
C 2.742231 -2.670538 -0.709615
C -5.123160 0.135136 -0.328352
C -6.454276 -0.058973 0.433165
C -7.696071 0.242563 -0.433362
H 1.205338 -1.338281 1.229556
H 1.220451 0.392206 1.629300
H 0.039528 -0.816927 -0.965275
H 0.082795 0.914849 -0.575612
H 3.567496 0.368231 2.002067
H 3.612120 -1.371896 1.655258
H 3.821475 -0.985159 -1.568132
H 2.093958 -0.943562 -1.868192
H -1.301359 0.464200 1.507669
H -1.362923 -1.259256 1.083336
H -2.491813 1.051420 -0.639249
H -2.528325 -0.662051 -1.102119
H -3.936359 -1.193704 0.927978
H -3.881745 0.510736 1.423151
H 5.404866 0.752374 0.257173
H 5.914779 -0.332070 1.577116
H 5.489363 -1.009870 -0.015817
H 3.511632 -2.964578 0.027772
H 2.887937 -3.300235 -1.606194
H 1.753569 -2.924964 -0.285464
H -5.069749 1.176051 -0.710915
H -5.114504 -0.523765 -1.222145
H -6.459642 0.595425 1.329047
H -6.508863 -1.100774 0.810339
H 2.723371 3.117704 0.118467
H -7.679706 1.286701 -0.799292
H -7.732953 -0.420931 -1.318173
H -8.633177 0.098743 0.135578


