%chk=000242847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242847

0 1
S 0.331667 1.969102 -0.071540
F -3.103283 -3.455870 0.742308
F -1.046410 -3.475350 0.261098
F -1.690609 -2.763168 2.151447
O -3.187196 3.074895 -1.771545
O -1.117956 3.263402 -1.132212
O 4.329980 -0.958629 -1.948640
N -2.176411 2.639285 -1.254471
N 2.546677 0.427976 -1.435288
C -0.985066 0.806547 -0.125355
C -2.066573 -1.310727 0.285787
C -2.166226 1.268754 -0.727189
C -0.936164 -0.498295 0.384264
C 1.616272 1.082083 0.730757
C -3.252057 -0.844562 -0.314848
C -3.304651 0.448716 -0.823229
C 2.619891 0.426864 -0.012636
C -1.988776 -2.715501 0.842712
C 1.675769 1.117622 2.127567
C 3.673784 -0.212560 0.675284
C 2.722395 0.488799 2.799536
C 3.715743 -0.176679 2.065603
C 3.412933 -0.258620 -2.319460
H -0.015625 -0.867128 0.853678
H -4.135074 -1.484017 -0.388047
H -4.214126 0.838452 -1.295202
H 0.901507 1.639595 2.694685
H 4.457955 -0.737133 0.115662
H 2.772265 0.513881 3.885942
H 4.534696 -0.672312 2.590830
H 1.806884 1.007132 -1.853599
H 3.153584 -0.087854 -3.379101


%chk=000242847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242847

0 1
S 0.417375 2.163179 -0.045232
F -2.979064 -3.139511 1.358467
F -1.438057 -3.562961 -0.245915
F -0.779671 -2.741319 1.761267
O -3.604020 2.922357 -1.924761
O -1.485183 3.523440 -1.332545
O 4.295635 -1.092613 -2.007028
N -2.458487 2.669735 -1.388357
N 2.558031 0.375091 -1.346680
C -0.992989 0.977316 -0.190721
C -1.954644 -1.240582 0.249716
C -2.230914 1.330329 -0.803945
C -0.881792 -0.335500 0.332525
C 1.674614 1.102629 0.821671
C -3.180318 -0.874471 -0.359493
C -3.310672 0.416912 -0.884259
C 2.633917 0.355932 0.068707
C -1.787526 -2.642207 0.779806
C 1.736608 1.138251 2.231079
C 3.633358 -0.378130 0.767687
C 2.733037 0.410455 2.917840
C 3.670156 -0.345792 2.176433
C 3.351110 -0.303102 -2.270300
H 0.047450 -0.641298 0.820930
H -4.011320 -1.582880 -0.408422
H -4.233669 0.753963 -1.362322
H 1.001370 1.733525 2.782146
H 4.358811 -0.956608 0.192497
H 2.775182 0.435923 4.010944
H 4.445933 -0.916133 2.698655
H 1.838135 0.999316 -1.733197
H 3.043401 -0.060546 -3.312394


