%chk=000114268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114268

1 1
S -5.771698 -0.755738 0.157225
F 4.736492 -2.955310 0.245341
F 2.703353 -3.436894 0.590324
F 3.394009 -3.089636 -1.387199
O -6.397179 -0.168310 1.602563
O -6.304763 -2.072468 -0.003041
O -5.967265 0.262210 -0.835712
N 0.323543 1.293134 -0.543267
N 1.823880 2.784773 0.250692
C -0.930854 0.693486 -1.062201
C 1.512866 0.576723 -0.251419
C 0.523378 2.626891 -0.216203
C -1.802330 0.159414 0.082836
C 2.464707 1.521540 0.247479
C -3.184749 -0.243180 -0.453469
C 1.842084 -0.785415 -0.380280
C -4.081046 -0.787044 0.654167
C 3.758303 1.115349 0.624510
C -0.462904 3.707443 -0.357020
C 2.433654 4.048186 0.687104
C 3.122728 -1.166168 -0.002966
C 4.070484 -0.227001 0.493244
C 3.495211 -2.628888 -0.131451
H -0.663250 -0.125911 -1.775413
H -1.480970 1.455836 -1.666618
H -1.315619 -0.709384 0.572596
H -1.917992 0.921449 0.880514
H -3.667906 0.638363 -0.941337
H -3.074680 -1.005348 -1.255347
H 1.109484 -1.502488 -0.762538
H -3.954687 -0.205805 1.596957
H -3.767641 -1.814252 0.945864
H 4.487409 1.832035 1.007863
H -0.429349 4.433422 0.479237
H -0.311564 4.292673 -1.288015
H -1.509832 3.346901 -0.387657
H 2.060164 4.908557 0.097801
H 2.225993 4.240326 1.760586
H 3.535131 4.020323 0.555031
H 5.074735 -0.568215 0.781018
H -7.347227 -0.288878 1.765101


%chk=000114268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114268

1 1
S -5.804016 -1.072588 -0.005406
F 4.520554 -2.969169 -0.591655
F 3.293113 -3.264224 1.289421
F 2.294170 -3.408454 -0.744095
O -6.611806 -1.174735 1.656059
O -5.723574 -2.530063 -0.698691
O -6.361952 0.192878 -0.845855
N 0.355435 1.437485 -0.514753
N 1.958767 2.818015 0.195457
C -0.947677 0.896999 -0.983697
C 1.487571 0.636389 -0.226941
C 0.658347 2.749270 -0.245420
C -1.851002 0.423419 0.179514
C 2.509211 1.517050 0.221152
C -3.191783 -0.117061 -0.376318
C 1.697688 -0.749792 -0.328625
C -4.102476 -0.598712 0.756601
C 3.787128 1.048190 0.584879
C -0.251472 3.921750 -0.400646
C 2.694838 4.038179 0.580548
C 2.974737 -1.216021 0.037532
C 4.004473 -0.337726 0.487252
C 3.265923 -2.698656 -0.009192
H -0.725503 0.061690 -1.670714
H -1.456364 1.670811 -1.582395
H -1.333310 -0.362088 0.762186
H -2.043157 1.267839 0.869916
H -3.712012 0.680300 -0.942747
H -3.002446 -0.950705 -1.080286
H 0.929993 -1.445340 -0.676483
H -4.365033 0.182080 1.487159
H -3.776026 -1.523287 1.256476
H 4.581897 1.716100 0.926250
H -0.361159 4.469543 0.552488
H 0.137681 4.632291 -1.152468
H -1.257071 3.614915 -0.721482
H 2.050488 4.920896 0.467857
H 3.016922 3.965338 1.632459
H 3.579043 4.161292 -0.066423
H 4.982009 -0.751559 0.751567
H -7.548052 -1.509835 1.546424


