%chk=000187349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187349

0 1
O 1.026397 -1.346324 -0.195604
O 2.523467 0.858794 -1.438597
O 1.484848 2.779087 0.098932
O -3.597208 -1.007580 -0.328271
C 2.359424 -0.906078 0.271439
C 2.539068 0.603706 -0.029768
C 1.416889 1.454356 0.624032
C 0.069799 0.834905 0.377048
C 2.439935 -1.204144 1.762071
C 3.281605 -1.777772 -0.567600
C -0.051354 -0.524056 0.013675
C -1.097602 1.595452 0.502945
C -1.292060 -1.124349 -0.217898
C -2.435977 -0.320356 -0.078635
C -2.356605 1.036756 0.279672
C -4.852148 -0.290877 -0.216508
H 3.548450 0.965836 0.270147
H 1.597953 1.613954 1.713238
H 3.399255 -0.900322 2.194060
H 1.639893 -0.707868 2.327050
H 2.319923 -2.281328 1.949345
H 4.259763 -1.914265 -0.094712
H 2.839720 -2.773948 -0.721813
H 3.452034 -1.345682 -1.565618
H -1.008948 2.652692 0.771925
H 1.736973 0.421414 -1.851433
H -1.370483 -2.171770 -0.495467
H 1.585917 2.748559 -0.887571
H -3.244695 1.647918 0.381747
H -4.994726 0.067335 0.806973
H -5.579235 -1.075458 -0.464646
H -4.889774 0.524014 -0.945059


%chk=000187349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187349

0 1
O 1.071799 -1.336645 -0.394668
O 2.502903 0.851156 -1.535889
O 1.534842 2.832977 0.118599
O -3.685410 -1.009669 -0.366521
C 2.385477 -0.911252 0.228658
C 2.553299 0.599150 -0.079631
C 1.448905 1.448250 0.598092
C 0.077324 0.822686 0.350162
C 2.341909 -1.203395 1.741059
C 3.434116 -1.772276 -0.484729
C -0.052000 -0.523127 -0.098379
C -1.107315 1.563639 0.550168
C -1.311381 -1.105932 -0.326717
C -2.479142 -0.338773 -0.113293
C -2.384672 1.007462 0.328348
C -4.929883 -0.266281 -0.155303
H 3.548088 0.958262 0.231598
H 1.652162 1.532768 1.681395
H 3.243441 -0.802490 2.240091
H 1.452817 -0.759400 2.220463
H 2.309628 -2.293454 1.907576
H 4.423664 -1.633332 -0.013864
H 3.154617 -2.836690 -0.407868
H 3.515990 -1.500921 -1.549895
H -1.012214 2.608052 0.866463
H 1.800859 0.260085 -1.920394
H -1.389593 -2.140777 -0.668864
H 1.683356 2.767848 -0.865351
H -3.277462 1.616949 0.491918
H -5.031902 0.058403 0.898455
H -5.732644 -0.975849 -0.403880
H -4.991080 0.615176 -0.822699


