%chk=000185311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185311

0 1
O 0.474879 -1.094481 0.108964
O -2.418340 -2.062062 0.169113
O 3.402373 -1.804224 -0.003466
O -4.379425 -0.025646 0.251480
O -3.689021 2.541044 0.039244
O 5.125201 0.222509 0.032456
C -0.367996 1.107559 0.037941
C 1.084179 1.171342 0.007767
C -0.692554 -0.278958 0.097804
C 1.535366 -0.183254 0.051251
C -2.008588 -0.757315 0.136878
C -1.371963 2.069705 0.019283
C 2.891264 -0.525751 0.056347
C 2.009886 2.211066 -0.054489
C -3.022915 0.225495 0.114750
C -2.694458 1.606234 0.054877
C 3.801421 0.561171 0.010855
C 3.370601 1.901963 -0.057748
C -1.364764 -3.066147 0.156501
C 2.873739 -2.702972 1.010001
C -4.925150 -0.936939 -0.743213
H -1.160764 3.133879 -0.024004
H 1.673811 3.246746 -0.098145
H 4.106697 2.699835 -0.104888
H -4.590782 2.090646 0.081795
H -0.753832 -2.962816 -0.747261
H -1.941826 -3.997605 0.154774
H -0.753011 -2.970795 1.059638
H 5.708563 1.022536 -0.044546
H 3.403512 -3.634156 0.777442
H 1.791569 -2.815293 0.889354
H 3.132562 -2.337774 2.006992
H -4.783844 -0.530449 -1.746542
H -5.982668 -0.972855 -0.460792
H -4.452520 -1.921740 -0.638812


%chk=000185311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185311

0 1
O 0.542060 -1.050093 0.233165
O -2.358739 -2.080624 0.268364
O 3.567528 -1.718244 0.357298
O -4.371197 -0.039897 0.069814
O -3.729207 2.541721 -0.183469
O 5.263230 0.335961 0.250000
C -0.320917 1.130841 0.048270
C 1.137991 1.216461 0.072015
C -0.639684 -0.250845 0.153061
C 1.623265 -0.120162 0.179987
C -1.964273 -0.738413 0.170915
C -1.345803 2.095554 -0.062632
C 2.992618 -0.454640 0.234607
C 2.053797 2.286957 0.026619
C -2.984538 0.239173 0.023751
C -2.672955 1.631531 -0.077412
C 3.896251 0.652458 0.190720
C 3.430228 1.989380 0.090746
C -1.534842 -2.974342 1.108170
C 2.758486 -2.902762 0.024491
C -4.886023 -1.031115 -0.906439
H -1.144982 3.166104 -0.141925
H 1.712132 3.322614 -0.053104
H 4.165906 2.803379 0.056932
H -4.574516 2.015299 -0.121687
H -0.548490 -3.150525 0.648160
H -2.106945 -3.912531 1.164848
H -1.404834 -2.546002 2.118819
H 5.802846 1.164901 0.216861
H 3.474807 -3.737656 0.040790
H 2.306536 -2.806781 -0.979337
H 1.964116 -3.066678 0.773036
H -4.678970 -0.695030 -1.940320
H -5.971348 -1.072283 -0.728560
H -4.422332 -2.013211 -0.724953


