%chk=000188694.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188694

0 1
Cl 2.129291 -1.019591 2.774620
Cl 1.614921 -4.578420 -1.194825
F -2.686864 -1.445838 0.419917
F -2.948520 -1.462356 -1.685950
F -4.623660 -1.251419 -0.416954
O -0.586638 1.511039 0.189531
O -2.799066 0.993890 0.763397
N 2.198481 1.894251 -0.402690
N 3.483585 1.535578 -0.681293
N 2.407566 2.144510 -2.619116
C 0.421628 0.885770 1.057910
C -0.185829 0.898441 2.479957
C -1.390701 1.846541 2.421991
C -1.731819 1.939674 0.935067
C 1.656433 1.826603 0.962067
C 0.722816 -0.489958 0.509943
C 1.490004 -1.423458 1.220838
C 0.259354 -0.852287 -0.766055
C -3.171516 0.686339 -0.587578
C 1.777838 -2.693081 0.716494
C 0.528118 -2.113982 -1.299895
C 1.535551 2.259905 -1.592078
C 1.281214 -3.019530 -0.547572
C -3.355208 -0.839760 -0.565633
C 3.601571 1.697600 -2.032141
H 0.539570 1.206231 3.251888
H -0.521730 -0.121060 2.765998
H -2.250088 1.441608 2.997761
H -1.165903 2.838830 2.848462
H -2.014023 2.915543 0.505262
H 2.458464 1.477878 1.662029
H 1.364219 2.854032 1.284527
H -0.315878 -0.125996 -1.348012
H -2.394065 1.001433 -1.311713
H -4.121420 1.219849 -0.792849
H 2.375846 -3.405165 1.288688
H 0.158010 -2.387469 -2.289699
H 0.500699 2.567507 -1.634554
H 4.502350 1.509618 -2.599339


%chk=000188694-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188694

0 1
Cl 2.642909 -0.876844 2.816369
Cl 2.650411 -4.562098 -1.282967
F -5.503508 -0.190905 0.365033
F -5.065891 -0.165110 -1.863330
F -4.617694 1.666072 -0.586304
O -0.639846 1.228820 0.144588
O -2.637332 0.096067 0.924400
N 2.109234 2.069037 -0.383529
N 3.405646 1.617695 -0.683373
N 2.406316 2.581648 -2.546967
C 0.483132 0.758431 1.037553
C -0.149286 0.698686 2.466141
C -1.420329 1.579466 2.368068
C -1.868869 1.354341 0.926420
C 1.568848 1.874572 0.962008
C 1.018992 -0.575778 0.501109
C 1.969316 -1.373635 1.183520
C 0.604590 -1.044048 -0.772994
C -3.165214 -0.300635 -0.371013
C 2.472004 -2.583006 0.666594
C 1.085692 -2.246121 -1.330198
C 1.539897 2.634770 -1.506348
C 2.013447 -3.004951 -0.594472
C -4.577722 0.246462 -0.598168
C 3.522817 1.955053 -1.997588
H 0.551061 1.056450 3.236478
H -0.424412 -0.339837 2.709103
H -2.200724 1.282433 3.084662
H -1.185993 2.647902 2.518347
H -2.453976 2.161630 0.454991
H 2.419017 1.610192 1.610148
H 1.121361 2.818772 1.319688
H -0.104092 -0.430192 -1.333687
H -3.221481 -1.401350 -0.372498
H -2.523558 0.033333 -1.207067
H 3.203021 -3.168621 1.228681
H 0.752459 -2.576933 -2.317451
H 0.534973 3.043885 -1.528161
H 4.429385 1.747646 -2.559384


