%chk=000105457.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105457

0 1
S -0.516330 -0.986085 0.300941
F 1.375651 -1.928412 -1.250053
F 0.977314 0.114256 -1.574178
F 2.174718 -1.169654 1.470149
F 3.467854 -0.824447 -0.154379
F 1.153406 1.514673 1.162545
F 3.119654 1.235251 1.870610
F 2.300049 1.923154 -1.528041
F 4.216809 1.891962 -0.620492
F 2.796158 3.354974 -0.045177
O -0.388622 -2.201809 1.038958
O -0.720570 0.298510 0.910919
O -4.517968 1.069512 -0.702513
O -3.976944 -0.651095 0.669862
N -1.596784 -1.136454 -1.013616
C 1.108064 -0.788694 -0.582453
C 2.284759 -0.416425 0.351735
C 2.370011 1.096023 0.755001
C -2.068978 -2.495973 -1.411304
C -2.526212 -0.017320 -1.234591
C 2.917938 2.058239 -0.348475
C -2.779984 -3.279440 -0.318221
C -3.714280 0.042070 -0.281517
C -5.694271 1.405285 0.108083
C -5.262757 2.163641 1.343278
H -1.171054 -3.058558 -1.764069
H -2.733694 -2.386915 -2.299425
H -2.906499 -0.055737 -2.287274
H -1.973528 0.958580 -1.158107
H -2.099455 -3.565827 0.502061
H -3.599916 -2.711422 0.148985
H -3.210924 -4.206932 -0.711494
H -6.232260 0.470420 0.344409
H -6.264664 2.021939 -0.610720
H -4.694706 1.519048 2.032714
H -4.612242 3.012524 1.093193
H -6.124244 2.555434 1.897257


%chk=000105457-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105457

0 1
S -0.603211 -1.387817 0.749302
F 1.986438 -2.449550 0.222649
F 1.291677 -1.054382 -1.433542
F 2.138149 -0.194323 1.992511
F 3.639528 -0.309727 0.289334
F 0.609710 1.405094 -0.440475
F 1.877325 2.234090 1.268665
F 3.060062 1.212926 -2.013095
F 4.126643 2.321929 -0.333269
F 2.334885 3.255644 -1.350870
O -0.588877 -2.895042 1.337203
O -0.885263 -0.058962 1.632912
O -4.273151 1.217654 -0.359613
O -4.026384 -0.813264 0.774975
N -1.591622 -1.299452 -0.724925
C 1.405542 -1.211173 -0.042192
C 2.259030 -0.083403 0.594823
C 1.904775 1.394230 0.145186
C -1.828684 -2.552710 -1.481575
C -2.358582 -0.074828 -0.924393
C 2.882633 2.047562 -0.902580
C -3.264858 -3.101487 -1.378406
C -3.631337 0.024170 -0.060360
C -5.489816 1.550084 0.456477
C -5.082685 2.225571 1.767425
H -1.121155 -3.309554 -1.096681
H -1.556902 -2.353001 -2.536910
H -2.637704 -0.017886 -1.992646
H -1.744666 0.817283 -0.708888
H -3.535344 -3.311847 -0.331625
H -4.006129 -2.394146 -1.790584
H -3.330392 -4.037842 -1.962574
H -6.050996 0.616590 0.637500
H -6.063509 2.220602 -0.202355
H -4.499150 1.536754 2.400704
H -4.481506 3.130753 1.576112
H -5.988976 2.523759 2.326379


