%chk=000227797.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227797

0 1
O 4.516961 -0.816372 -0.453032
C 2.134012 -0.464193 -0.283140
C 1.329054 0.748652 0.285706
C -0.040932 0.862005 -0.397319
C -0.840108 -0.433531 -0.056807
C 3.522927 -0.240038 0.416385
C 1.366638 -1.748296 0.075634
C 2.310344 1.930367 0.189313
C -0.060111 -1.690272 -0.499044
C 3.699779 1.308803 0.451204
C -2.244080 -0.369440 -0.719614
C -0.806007 2.113987 0.066589
C 2.351098 -0.399456 -1.802919
C -2.212655 2.158564 -0.550119
C -2.946740 0.882143 -0.229991
C 3.670406 -0.871316 1.799617
C -3.088950 -1.638634 -0.480090
C -3.866878 -1.589692 0.839221
C -4.091404 0.878533 0.465538
C -4.809451 -0.377395 0.857841
H 1.143443 0.562741 1.375026
H 0.095339 0.923964 -1.502841
H -0.984546 -0.480342 1.049022
H 1.319582 -1.886713 1.170639
H 1.898864 -2.632183 -0.322063
H 2.072910 2.717520 0.920948
H 2.270407 2.404492 -0.805755
H -0.013017 -1.730131 -1.605130
H -0.617634 -2.596086 -0.187595
H 4.419481 1.613103 -0.328052
H 4.113443 1.651317 1.410438
H -2.101037 -0.270913 -1.826214
H -0.245094 3.024535 -0.211929
H -0.885215 2.126536 1.170436
H 2.826730 0.538857 -2.106000
H 3.024784 -1.207227 -2.123273
H 1.413125 -0.498256 -2.356590
H -2.147711 2.290004 -1.648668
H -2.758438 3.045772 -0.176293
H 3.648341 -1.966344 1.732390
H 4.615045 -0.594258 2.278024
H 2.863396 -0.560802 2.472783
H -2.444831 -2.539074 -0.502721
H -3.801331 -1.754361 -1.320126
H 5.397500 -0.796723 -0.040777
H -3.160089 -1.524900 1.688860
H -4.440064 -2.523259 0.980798
H -4.567395 1.800261 0.790947
H -5.256086 -0.262286 1.864812
H -5.659507 -0.543964 0.164033


%chk=000227797-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227797

0 1
O 4.595485 -0.998910 -0.325554
C 2.171897 -0.477676 -0.293806
C 1.362305 0.743970 0.246266
C -0.042474 0.859348 -0.376725
C -0.848179 -0.450685 -0.072463
C 3.552514 -0.256493 0.426999
C 1.390954 -1.766735 0.056292
C 2.344525 1.938540 0.116061
C -0.060643 -1.720399 -0.500690
C 3.759606 1.301586 0.327962
C -2.268593 -0.354824 -0.737904
C -0.801938 2.114113 0.118653
C 2.408021 -0.406697 -1.829714
C -2.233050 2.193013 -0.481220
C -2.974144 0.896100 -0.211691
C 3.601241 -0.735158 1.894569
C -3.171472 -1.609488 -0.597028
C -3.887587 -1.662914 0.771421
C -4.121744 0.845897 0.520423
C -4.822638 -0.440543 0.924764
H 1.199242 0.567493 1.333892
H 0.059770 0.948385 -1.480864
H -0.990460 -0.493634 1.031226
H 1.331899 -1.880893 1.157485
H 1.915883 -2.659539 -0.336191
H 2.130990 2.732005 0.853960
H 2.263043 2.398636 -0.887177
H -0.046971 -1.786119 -1.607551
H -0.592974 -2.623171 -0.145713
H 4.424575 1.514014 -0.528636
H 4.251843 1.695683 1.236844
H -2.077378 -0.201335 -1.825308
H -0.233615 3.026991 -0.147131
H -0.874423 2.085455 1.225929
H 2.925024 0.521259 -2.129634
H 3.047725 -1.248756 -2.140160
H 1.461063 -0.459917 -2.392023
H -2.144730 2.362802 -1.575727
H -2.781033 3.055762 -0.057367
H 3.495341 -1.831995 1.956854
H 4.573929 -0.458853 2.348155
H 2.812023 -0.269318 2.511586
H -2.589348 -2.532265 -0.771936
H -3.945118 -1.573828 -1.391093
H 5.451388 -0.912822 0.166173
H -3.138134 -1.657169 1.587525
H -4.465200 -2.602090 0.868751
H -4.571147 1.789723 0.864661
H -5.178723 -0.356077 1.971248
H -5.734272 -0.586773 0.305710


