%chk=000299419.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299419

0 1
F -1.285102 0.810557 2.517568
F -3.085957 1.843852 2.888997
F -3.132280 -0.013777 1.882316
F -4.691509 1.745807 0.150452
F -3.606252 3.042333 -1.116445
F -3.973381 3.605573 0.886783
O -1.486208 3.027045 0.832618
N 3.010628 0.419140 0.278143
N -1.112016 -2.003357 0.197583
N 1.796663 0.916322 0.868618
N -0.221011 -0.987003 0.044632
C 4.140793 1.225136 0.871066
C 3.187674 -1.061937 0.485376
C 5.324370 1.210993 -0.107492
C 4.439164 -1.579714 -0.238913
C 6.348064 0.101390 0.163302
C 5.740631 -1.266426 0.509501
C 0.351658 -3.413909 -2.102945
C -1.127614 -3.639114 -2.438822
C 0.726820 -3.626247 -0.630812
C -1.981125 -2.388947 -2.189069
C -0.367734 -3.297569 0.394484
C -2.295946 -2.146741 -0.707244
C -0.448109 0.266526 -0.193981
C -1.734694 0.980695 -0.535415
C 0.790173 1.158519 -0.212047
C -2.279780 1.887503 0.577062
C -2.450249 1.137184 1.945950
C -3.626693 2.560291 0.134300
H 4.447199 0.865677 1.873898
H 3.787383 2.272754 1.007483
H 2.285574 -1.571082 0.050775
H 3.224215 -1.343357 1.559409
H 4.937414 1.117977 -1.144261
H 5.835341 2.192390 -0.069783
H 4.342776 -2.675661 -0.364448
H 4.477291 -1.159672 -1.264303
H 6.998321 -0.000898 -0.728127
H 7.018912 0.410663 0.988850
H 5.564110 -1.325243 1.601548
H 6.488235 -2.053642 0.289549
H 0.641697 -2.385035 -2.401870
H 0.973452 -4.086553 -2.726780
H -1.526411 -4.500204 -1.870372
H -1.215923 -3.923967 -3.506708
H 1.619218 -2.989530 -0.408199
H 1.047541 -4.673695 -0.471821
H -1.471801 -1.502073 -2.616221
H -2.937094 -2.480423 -2.743110
H 0.089342 -3.242935 1.410798
H -1.123678 -4.111400 0.429622
H -2.908660 -2.982883 -0.299586
H -2.931749 -1.232749 -0.605414
H -2.521601 0.239749 -0.829000
H -1.563821 1.589166 -1.454683
H 0.492334 2.235765 -0.094063
H 1.264763 1.089701 -1.222984
H 1.401939 0.272185 1.576716
H -0.497295 2.803049 0.818121


%chk=000299419-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299419

0 1
F -0.789834 -0.277396 2.252532
F -1.608620 1.723325 2.904758
F -2.906995 0.321823 1.696283
F -3.181438 2.276023 -0.282693
F -1.301692 3.212350 -1.129191
F -1.934496 3.678669 0.986450
O 0.303441 1.943291 0.800521
N 3.395028 0.551064 0.330209
N -1.393609 -2.827434 -0.246212
N 2.005379 0.103237 0.496091
N -0.250761 -2.123289 -0.441601
C 3.651881 1.760798 1.178510
C 4.322384 -0.595937 0.551246
C 4.860267 2.565950 0.648242
C 5.813200 -0.279778 0.299378
C 6.257280 2.143885 1.178514
C 6.461815 0.619160 1.381763
C -1.855510 -3.938870 -2.925476
C -3.309992 -3.564213 -2.525151
C -1.037790 -4.750695 -1.883467
C -3.411303 -2.255458 -1.698937
C -1.202179 -4.287470 -0.407814
C -2.804266 -2.350164 -0.278720
C -0.047361 -0.818402 -0.575640
C -1.022873 0.360860 -0.658332
C 1.427757 -0.487206 -0.772470
C -0.984127 1.427489 0.511799
C -1.579740 0.824744 1.832915
C -1.845407 2.648734 0.044750
H 3.790183 1.493060 2.254227
H 2.748406 2.388878 1.110130
H 4.006115 -1.402845 -0.136051
H 4.219699 -0.989272 1.597554
H 4.827358 2.494030 -0.455183
H 4.702495 3.633678 0.894641
H 6.339596 -1.254378 0.281434
H 5.932965 0.164995 -0.706993
H 7.020017 2.523396 0.469870
H 6.455710 2.651388 2.143468
H 6.056300 0.315599 2.368685
H 7.549524 0.416185 1.427304
H -1.310739 -3.001829 -3.158450
H -1.873571 -4.522548 -3.866657
H -3.784174 -4.401043 -1.971064
H -3.907887 -3.429427 -3.447582
H 0.030947 -4.689264 -2.163483
H -1.320456 -5.821636 -1.933981
H -2.918835 -1.441961 -2.269522
H -4.474884 -1.962688 -1.587844
H -0.314747 -4.585644 0.177078
H -2.083822 -4.775088 0.045520
H -3.386188 -3.082681 0.312083
H -2.887022 -1.394645 0.259505
H -2.062615 0.036474 -0.808290
H -0.738614 0.943457 -1.556289
H 1.579208 0.285988 -1.546140
H 1.964230 -1.406977 -1.061396
H 1.906718 -0.587015 1.272468
H 1.093647 1.158921 0.727303


