%chk=000117112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117112

0 1
O -2.592730 -0.823644 0.840102
O -3.482799 0.786595 -0.581855
C -1.080552 0.748534 0.010772
C -2.338978 -0.056351 -0.345574
C 0.186233 -0.112521 0.010736
C 1.407634 0.691536 0.481884
C -2.274290 -0.887897 -1.618988
C 2.648382 -0.151397 0.462976
C -3.740900 -1.693840 0.813076
C -3.859817 1.689004 0.474746
C 3.774151 0.211126 -0.158702
C 5.014498 -0.633757 -0.178167
C 6.266169 0.190539 0.121228
H -0.986662 1.589940 -0.702473
H -1.216954 1.202155 1.014310
H 0.378337 -0.517488 -1.001437
H 0.029605 -0.991602 0.669718
H 1.526431 1.597804 -0.144988
H 1.242016 1.064854 1.514881
H -3.282704 -1.110400 -1.995592
H -1.751693 -0.351062 -2.419488
H -1.755431 -1.836416 -1.442289
H 2.567796 -1.092413 1.007513
H 3.855210 1.152905 -0.701394
H -3.498586 -2.597467 0.247514
H -4.606350 -1.177130 0.385113
H -3.899917 -1.924135 1.872148
H -3.796242 1.194441 1.449895
H -4.897161 1.940387 0.227203
H -3.223846 2.577397 0.435009
H 5.107074 -1.111390 -1.177340
H 4.940111 -1.471636 0.544892
H 6.422998 0.975774 -0.626891
H 7.162328 -0.439317 0.131955
H 6.194439 0.680669 1.099610


%chk=000117112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117112

0 1
O -2.593095 -0.887226 0.850015
O -3.569176 0.826045 -0.546940
C -1.114657 0.747456 -0.058157
C -2.399611 -0.055029 -0.350923
C 0.175353 -0.100755 -0.014067
C 1.410085 0.744554 0.399869
C -2.346708 -0.875925 -1.647259
C 2.680869 -0.075495 0.482296
C -3.740801 -1.803177 0.803222
C -3.847291 1.762844 0.550664
C 3.807108 0.145602 -0.245462
C 5.079219 -0.674435 -0.166628
C 6.314095 0.178987 0.223554
H -1.025639 1.536014 -0.831120
H -1.239546 1.251296 0.919486
H 0.373669 -0.556615 -1.003014
H 0.032682 -0.930995 0.703596
H 1.548520 1.579045 -0.316647
H 1.198596 1.205442 1.388893
H -3.348399 -1.263863 -1.895293
H -2.016406 -0.234962 -2.481954
H -1.644154 -1.719435 -1.544933
H 2.662857 -0.922344 1.188294
H 3.824283 0.993539 -0.950657
H -3.550976 -2.660911 0.128445
H -4.659151 -1.277740 0.479150
H -3.862737 -2.173278 1.833789
H -3.785573 1.256676 1.532766
H -4.874831 2.121165 0.376959
H -3.155213 2.627592 0.536780
H 5.275294 -1.149087 -1.151080
H 4.947012 -1.498020 0.561342
H 6.468868 1.002686 -0.498486
H 7.233679 -0.434875 0.239997
H 6.179575 0.629020 1.223603


