%chk=000217397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217397

0 1
O -4.995620 0.372643 0.032649
O -4.086424 -1.651728 0.290323
C 0.331580 0.394345 -0.165077
C -0.442338 0.913137 1.064085
C -0.531571 0.550060 -1.434972
C 1.670039 1.137114 -0.336474
C -2.632740 0.330747 -0.048096
C -1.781196 0.185360 1.227266
C -1.872989 -0.177455 -1.287900
C 2.707566 0.768229 0.744847
C 3.201875 -0.687424 0.607284
C 3.873052 1.765519 0.721983
C -3.906509 -0.470834 0.113902
C 3.962263 -0.973583 -0.694087
C 4.334680 -2.449656 -0.818179
H 0.543657 -0.694564 -0.016885
H -0.611381 2.002856 0.973082
H 0.169933 0.777185 1.976743
H 0.010966 0.148662 -2.311758
H -0.703236 1.622308 -1.647414
H 2.092656 0.915218 -1.336334
H 1.497165 2.229628 -0.326414
H -2.895132 1.411304 -0.194321
H -1.606654 -0.888785 1.443008
H -2.329020 0.590460 2.099152
H -2.485814 -0.028673 -2.197210
H -1.704349 -1.270877 -1.203617
H 2.209459 0.851158 1.746192
H 2.330534 -1.369296 0.681379
H 3.847473 -0.933264 1.472111
H 4.646766 1.487680 1.446022
H 4.351174 1.811095 -0.262464
H 3.538166 2.777756 0.971026
H 4.878204 -0.352804 -0.739044
H 3.345483 -0.668091 -1.562943
H 3.446428 -3.091405 -0.827575
H 4.966139 -2.778217 0.014971
H 4.887622 -2.641947 -1.744207
H -5.862208 -0.101060 0.132745


%chk=000217397-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217397

0 1
O -5.051945 0.295928 0.168965
O -4.010051 -1.767613 -0.023819
C 0.371150 0.446670 -0.285518
C -0.342741 0.626335 1.077935
C -0.589064 0.841301 -1.438031
C 1.688501 1.258548 -0.378174
C -2.633076 0.287254 -0.012047
C -1.685060 -0.136098 1.146609
C -1.928951 0.075092 -1.383761
C 2.776659 0.937517 0.685087
C 3.200455 -0.560318 0.707250
C 3.993614 1.877171 0.499533
C -3.913941 -0.520653 0.040401
C 3.794879 -1.115495 -0.609185
C 4.210263 -2.597830 -0.482254
H 0.607405 -0.633492 -0.404566
H -0.519155 1.709710 1.249971
H 0.308299 0.277192 1.902029
H -0.097260 0.656450 -2.413811
H -0.785412 1.933412 -1.384477
H 2.123498 1.117357 -1.389937
H 1.438956 2.339127 -0.302718
H -2.894131 1.355964 0.100250
H -1.507131 -1.226869 1.072412
H -2.176703 0.047828 2.121362
H -2.592706 0.410472 -2.203852
H -1.754854 -1.009379 -1.526734
H 2.348485 1.158989 1.686184
H 2.328907 -1.185725 0.991806
H 3.948484 -0.697711 1.516330
H 4.779559 1.666228 1.249157
H 4.444690 1.764400 -0.504231
H 3.694257 2.936435 0.610617
H 4.676622 -0.514256 -0.905786
H 3.056283 -1.013907 -1.428944
H 3.341942 -3.232774 -0.222554
H 4.969311 -2.729681 0.312128
H 4.638786 -2.981655 -1.426500
H -5.863126 -0.283122 0.192673


