%chk=000248332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248332

0 1
O 2.544747 1.361179 -0.208655
O 3.598523 -0.694669 0.093611
O 1.239255 -1.825295 0.281018
C -2.486852 0.247036 -0.503469
C -1.234685 -0.462787 0.024478
C -3.745077 -0.221495 0.239577
C 0.027264 0.008318 -0.705158
C -5.003276 0.484731 -0.284741
C 1.253200 -0.748873 -0.252881
C 2.575161 -0.008159 -0.604075
C -6.258089 0.021362 0.451803
C 2.466502 1.596797 1.215243
C 4.940473 -0.329718 -0.302791
H -2.374208 1.343407 -0.398061
H -2.600139 0.058227 -1.588570
H -1.124789 -0.287814 1.112976
H -1.338013 -1.562687 -0.085669
H -3.859634 -1.317951 0.135143
H -3.635560 -0.035044 1.325348
H -0.090836 -0.124870 -1.801404
H 0.177253 1.101726 -0.562894
H -5.116554 0.295703 -1.370245
H -4.891689 1.581567 -0.178665
H 2.756929 0.059895 -1.696929
H -6.195721 0.228475 1.526224
H -6.419559 -1.056538 0.335861
H -7.151233 0.529320 0.071200
H 1.445486 1.411848 1.560046
H 2.732593 2.655656 1.301005
H 3.182657 0.961124 1.749051
H 5.081267 0.752816 -0.225711
H 5.140113 -0.690201 -1.315378
H 5.554393 -0.864584 0.432213


%chk=000248332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248332

0 1
O 3.138252 1.548152 0.441054
O 3.393333 -0.758266 -0.288841
O 1.184116 -0.544248 1.545066
C -2.610714 0.188884 -0.563625
C -1.362563 -0.128948 0.288699
C -3.931986 -0.184802 0.145680
C -0.049594 0.259349 -0.413014
C -5.190005 0.131621 -0.694622
C 1.206412 -0.029739 0.398461
C 2.541245 0.410242 -0.255828
C -6.503782 -0.236627 0.028469
C 3.510523 1.301732 1.853612
C 4.612448 -0.559242 -1.094097
H -2.624921 1.270956 -0.813532
H -2.549718 -0.353157 -1.530991
H -1.424478 0.399624 1.259700
H -1.336849 -1.207816 0.535528
H -3.921209 -1.266335 0.395442
H -3.993320 0.355706 1.113303
H 0.048845 -0.267915 -1.387544
H -0.043155 1.340578 -0.672737
H -5.131670 -0.413799 -1.658876
H -5.196755 1.211542 -0.948515
H 2.373563 0.814632 -1.275608
H -6.601062 0.319867 0.979752
H -6.534570 -1.316363 0.268139
H -7.388356 -0.002817 -0.592172
H 2.625145 1.352792 2.511653
H 4.220456 2.106010 2.103804
H 3.983496 0.310644 1.964514
H 5.222953 0.270034 -0.692562
H 4.356515 -0.346684 -2.152228
H 5.167310 -1.507104 -1.028584


