%chk=000245148.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245148

0 1
S 4.926732 0.460142 0.078847
F -5.513981 1.495085 -1.256597
F -4.846865 -2.928170 2.389198
O 2.767721 0.740573 -2.452359
O 3.506700 -2.211289 1.157723
N 2.117278 2.097801 -0.692228
N 2.100988 -1.418572 -0.517327
N 0.788869 1.854390 -0.950400
N 0.973599 -1.780312 0.173780
C 4.532468 1.717748 -1.186235
C 4.529608 -1.123624 -0.744146
C 4.890696 3.064013 -0.600327
C 5.730899 -2.037153 -0.640584
C 3.070585 1.480830 -1.533828
C 3.363009 -1.657706 0.095758
C -1.538307 2.086942 -0.455833
C -1.407785 -1.859169 0.424367
C -0.116550 2.324128 -0.136193
C -0.195040 -1.452350 -0.310223
C -2.473276 2.071046 0.596714
C -2.660323 -1.446505 -0.067913
C -1.966601 1.893008 -1.781437
C -1.338920 -2.642874 1.592123
C -3.828331 1.869031 0.334295
C -3.836542 -1.804727 0.592469
C -3.318729 1.690569 -2.064576
C -2.502951 -3.012146 2.267714
C -4.219980 1.685919 -0.996337
C -3.727553 -2.582176 1.749106
H 5.135382 1.534133 -2.115372
H 4.255213 -0.965037 -1.817631
H 4.490597 3.229423 0.409668
H 5.984194 3.182985 -0.520060
H 4.532397 3.886190 -1.238400
H 5.980821 -2.273473 0.408273
H 5.540526 -3.001350 -1.135761
H 6.625455 -1.601106 -1.103814
H 2.419016 2.608387 0.147301
H 2.033562 -0.914413 -1.423452
H 0.068248 2.889664 0.789810
H -0.371088 -0.880222 -1.236371
H -2.142034 2.207397 1.627158
H -2.719394 -0.837086 -0.971458
H -1.235483 1.901102 -2.595222
H -0.362858 -2.963852 1.971797
H -4.556205 1.850292 1.145404
H -4.806513 -1.487594 0.212910
H -3.656309 1.545606 -3.090526
H -2.452044 -3.619197 3.170394


%chk=000245148-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245148

0 1
S 4.789005 0.716819 0.215287
F -5.748783 2.432343 0.354931
F -5.033023 -3.878013 1.340782
O 2.373006 0.224529 -2.175010
O 3.664512 -2.348921 1.637021
N 1.925089 2.264931 -1.120221
N 2.325609 -1.757034 -0.212362
N 0.559824 2.020050 -1.018784
N 1.148233 -2.248982 0.323900
C 4.275380 1.558641 -1.438956
C 4.701046 -1.164649 -0.255332
C 4.749958 3.020850 -1.378696
C 6.035833 -1.828860 0.101996
C 2.781844 1.300976 -1.634557
C 3.524717 -1.818289 0.504175
C -1.619894 2.838674 -0.334995
C -1.244313 -2.543251 0.067332
C -0.180645 3.007330 -0.556585
C 0.060501 -2.061188 -0.400079
C -2.406152 3.970435 0.018469
C -2.392277 -2.348374 -0.751096
C -2.246611 1.563001 -0.444018
C -1.394519 -3.197406 1.325721
C -3.791610 3.845547 0.246058
C -3.665646 -2.792091 -0.334742
C -3.625564 1.420117 -0.212253
C -2.657151 -3.644087 1.755367
C -4.368889 2.569447 0.123222
C -3.766617 -3.430270 0.913318
H 4.798873 1.015805 -2.242392
H 4.518951 -1.166284 -1.344369
H 4.388616 3.550157 -0.476033
H 5.851598 3.050531 -1.342392
H 4.419548 3.577595 -2.275095
H 6.194107 -1.810181 1.192878
H 6.020095 -2.889818 -0.209779
H 6.875245 -1.319217 -0.399579
H 2.330241 3.126968 -0.726461
H 2.305164 -1.214981 -1.102707
H 0.246511 4.000510 -0.305612
H 0.082709 -1.534558 -1.374129
H -1.933154 4.955180 0.112869
H -2.284719 -1.858683 -1.727119
H -1.632316 0.692982 -0.691688
H -0.505605 -3.342046 1.947152
H -4.412616 4.704307 0.515229
H -4.555737 -2.661283 -0.957127
H -4.117269 0.444709 -0.270347
H -2.792203 -4.147667 2.717007


