%chk=000188714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188714

0 1
S -0.144707 -3.241961 -0.145955
F -2.755667 -2.672638 2.497768
O 1.534267 0.834645 0.374363
O -1.881096 0.866949 -2.117741
N 1.941411 -1.409074 0.084041
N -1.163043 0.699265 0.034582
N 2.576235 -3.587885 0.070267
N 3.699683 -2.829971 0.166897
C -0.390395 -0.518215 -0.253225
C -0.959039 -1.730313 0.506347
C 1.087306 -0.249400 0.111871
C -2.405288 -2.013390 0.251805
C 1.509830 -2.775904 0.016305
C 3.380460 -1.516461 0.192422
C -3.248052 -2.497106 1.270017
C -2.980772 -1.838827 -1.019572
C 4.326456 -0.405366 0.311794
C -1.880139 1.338238 -0.993619
C -4.595043 -2.806843 1.068164
C -4.325845 -2.139596 -1.245475
C 4.240304 0.713172 -0.527158
C -2.598950 2.576070 -0.569414
C 5.357293 -0.505593 1.262137
C -5.130944 -2.624859 -0.209236
C 5.183084 1.747151 -0.412687
C 6.290699 0.526957 1.371704
C 6.207504 1.648354 0.542005
C -2.328630 3.774635 -1.243464
C -3.552237 2.534391 0.456877
C 5.083797 2.938591 -1.308118
C -3.006864 4.940052 -0.875369
C -4.229482 3.702816 0.815367
C -3.954701 4.904470 0.152729
H -0.431269 -0.707907 -1.378807
H -0.744020 -1.623151 1.598740
H -1.080898 1.099614 0.965665
H -2.376025 -1.445659 -1.846160
H -5.211535 -3.184995 1.883509
H -4.748542 -1.992833 -2.240285
H 3.438139 0.789980 -1.259539
H 5.430393 -1.387871 1.899437
H -6.178972 -2.861872 -0.396168
H 7.091193 0.455143 2.107793
H 6.941886 2.446383 0.637314
H -1.597994 3.793153 -2.054165
H -3.774396 1.595695 0.964941
H 4.116317 3.448088 -1.185629
H 5.865996 3.683813 -1.114544
H 5.168282 2.651012 -2.366347
H -2.798757 5.875531 -1.394063
H -4.973884 3.676950 1.610465
H -4.483448 5.814668 0.436514


%chk=000188714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188714

0 1
S -0.102745 -3.385575 -0.473732
F -2.721118 -2.453425 2.520211
O 1.420467 0.697563 0.758064
O -1.916628 0.771905 -2.192293
N 1.966424 -1.456703 -0.000927
N -1.152179 0.614615 -0.001196
N 2.641877 -3.627305 -0.142384
N 3.794880 -2.794425 0.046614
C -0.381304 -0.587086 -0.293042
C -0.991853 -1.876462 0.342736
C 1.067394 -0.368233 0.204082
C -2.475175 -2.059773 0.136128
C 1.580140 -2.819563 -0.190516
C 3.393807 -1.511573 0.157423
C -3.308507 -2.366890 1.235220
C -3.097526 -1.973770 -1.136830
C 4.351282 -0.407931 0.340260
C -1.873002 1.250548 -1.013562
C -4.689565 -2.585478 1.129244
C -4.484222 -2.189442 -1.279959
C 4.188271 0.872162 -0.245956
C -2.578548 2.519463 -0.633462
C 5.537102 -0.695022 1.072755
C -5.280243 -2.497014 -0.151228
C 5.175599 1.876442 -0.100760
C 6.522935 0.297892 1.223438
C 6.343524 1.576164 0.644825
C -2.960671 3.397051 -1.680641
C -2.894416 2.856066 0.709555
C 4.976511 3.242172 -0.735436
C -3.626852 4.604572 -1.389024
C -3.565460 4.063714 0.998994
C -3.927229 4.943232 -0.047916
H -0.375569 -0.707285 -1.397477
H -0.756004 -1.930042 1.418758
H -0.893118 1.140252 0.837649
H -2.495363 -1.714413 -2.013130
H -5.274494 -2.818849 2.023265
H -4.943035 -2.111903 -2.270260
H 3.288848 1.101036 -0.826143
H 5.667219 -1.691980 1.503847
H -6.356212 -2.665494 -0.262810
H 7.432210 0.078050 1.793092
H 7.115036 2.345221 0.770173
H -2.728164 3.107814 -2.710636
H -2.659725 2.167536 1.529764
H 4.056981 3.727530 -0.358910
H 5.825186 3.913865 -0.521344
H 4.877540 3.164397 -1.834404
H -3.913259 5.280255 -2.202041
H -3.814108 4.313687 2.035937
H -4.447036 5.880526 0.179087


