%chk=000194590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194590

0 1
O 2.119674 0.419637 1.275800
O -0.491710 -0.150225 -0.792062
O -0.930361 1.436352 0.832718
O 1.495042 -2.001600 -1.925480
O 3.372012 -2.580658 0.232350
O 4.260462 0.556307 0.406761
C 0.926242 0.110451 -0.863732
C 1.463029 1.111370 0.182598
C 1.511310 -1.307576 -0.668134
C 3.003089 -1.294137 -0.280812
C 3.266933 -0.341089 0.905634
C 0.403977 1.964679 0.891716
C -1.319337 0.979816 -0.467427
C -2.716569 0.432639 -0.332763
C -3.059648 -0.344613 0.781366
C -3.665424 0.702763 -1.329075
C 4.881128 1.387096 1.411336
C -4.358363 -0.848315 0.901430
C -4.960494 0.194003 -1.203523
C -5.307159 -0.579906 -0.089689
H 1.124281 0.482862 -1.896061
H 2.240760 1.759696 -0.293073
H 0.900603 -1.874426 0.075827
H 3.648787 -1.052452 -1.159446
H 3.556105 -0.850610 1.847898
H 0.592298 1.979911 1.989510
H 0.383615 2.995081 0.494618
H -1.180027 1.778349 -1.221136
H 0.562826 -2.133385 -2.216885
H 3.223864 -3.263099 -0.466111
H -2.305433 -0.542532 1.546936
H -3.399469 1.301777 -2.198021
H 5.507322 2.060685 0.814669
H 5.493922 0.769607 2.074959
H 4.120137 1.941041 1.969518
H -4.628259 -1.450406 1.767488
H -5.701288 0.399808 -1.974050
H -6.318178 -0.973599 0.003949


%chk=000194590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194590

0 1
O 2.016875 0.393825 1.216875
O -0.522634 -0.303999 -0.736218
O -0.894368 1.587547 0.691686
O 1.627516 -2.106719 -2.043277
O 3.778123 -2.396049 -0.290291
O 4.370475 0.572178 0.717764
C 0.901549 0.037710 -0.974900
C 1.479838 1.082581 0.020034
C 1.640653 -1.302027 -0.813830
C 3.123154 -1.102263 -0.462609
C 3.254280 -0.336323 0.870530
C 0.452992 2.135004 0.457961
C -1.363908 0.882777 -0.498062
C -2.776995 0.412537 -0.272047
C -3.128509 -0.199593 0.955629
C -3.746955 0.554177 -1.290766
C 4.815088 1.166115 1.989343
C -4.444891 -0.665895 1.158102
C -5.064578 0.084383 -1.088914
C -5.415131 -0.527272 0.136524
H 1.011990 0.416968 -2.014464
H 2.326533 1.606891 -0.473687
H 1.144568 -1.849463 0.011988
H 3.618887 -0.518164 -1.266728
H 3.402610 -1.037384 1.712809
H 0.765070 2.584803 1.412985
H 0.390535 2.926090 -0.321639
H -1.277856 1.561394 -1.382098
H 0.698477 -2.398048 -2.219614
H 3.526720 -2.946291 -1.078685
H -2.370783 -0.292299 1.739546
H -3.475201 1.028904 -2.241847
H 5.649350 1.836060 1.732080
H 5.169574 0.378558 2.683902
H 3.998861 1.739262 2.467079
H -4.716549 -1.136511 2.109515
H -5.813003 0.196464 -1.881113
H -6.436662 -0.890625 0.296038


