%chk=000210319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210319

0 1
S -1.540793 -3.480358 -0.699935
N 2.221552 -0.458948 0.877685
N 1.699934 3.882582 0.099961
N 1.701257 -1.920947 -0.921759
N -0.395585 3.134022 0.530036
N 0.929641 -2.394349 1.375192
N -2.553962 0.795064 0.921679
N -3.256943 -1.284713 1.490602
C 3.023057 0.384505 -0.061801
C 3.111214 1.811586 0.546295
C 1.815155 2.526393 0.468656
C 4.426854 -0.183192 -0.293328
C 1.584783 -1.640966 0.350442
C 0.513582 2.090962 0.728975
C 0.988363 -3.022821 -1.584288
C -0.463352 -2.679487 -1.926527
C -3.062718 -2.477825 -0.704120
C -2.905884 -1.277633 0.133699
C 0.329437 4.209910 0.153257
C -2.460210 0.006154 -0.234427
C -1.971227 0.531961 -1.521276
C -3.038535 -0.033810 1.951461
H 2.475146 0.435822 -1.043264
H 3.437568 1.757419 1.608688
H 3.912799 2.370943 0.021538
H 4.990034 0.411106 -1.019711
H 5.020483 -0.244363 0.622680
H 4.356265 -1.201103 -0.710887
H 2.710197 -0.630130 1.763510
H 2.454649 4.491642 -0.151291
H 0.198014 1.104607 1.031370
H 1.554606 -3.184165 -2.537712
H 1.068417 -3.985875 -1.029179
H -0.622811 -1.576656 -1.933548
H -0.727160 -3.044488 -2.935221
H -3.360225 -2.225658 -1.739143
H -3.855974 -3.146434 -0.291181
H -0.057663 5.189369 -0.077674
H 0.184835 -3.014540 1.048734
H 0.601272 -1.866546 2.178193
H -2.288192 1.770981 0.988406
H -1.516009 1.531725 -1.426706
H -1.189806 -0.132528 -1.944258
H -2.782772 0.608689 -2.259817
H -3.212093 0.309197 2.958696


%chk=000210319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210319

0 1
S -1.569238 -3.661545 -0.511773
N 2.375893 -0.505578 0.887464
N 1.583476 3.770825 0.838444
N 1.492897 -1.597425 -0.998512
N -0.383319 2.931173 0.147003
N 0.978554 -2.365074 1.246646
N -2.364065 0.969709 0.467364
N -2.706569 -0.988141 1.556685
C 3.257937 0.340789 0.059985
C 3.219575 1.818637 0.532168
C 1.853664 2.447343 0.435253
C 4.707975 -0.195507 0.062846
C 1.583191 -1.519637 0.316692
C 0.622173 1.951649 0.004834
C 0.939047 -2.802192 -1.641931
C -0.595560 -2.779193 -1.890973
C -3.140282 -2.539199 -0.381870
C -2.864291 -1.184980 0.166934
C 0.230520 4.019925 0.648341
C -2.654618 0.024962 -0.524922
C -2.730575 0.395003 -1.980189
C -2.397990 0.315683 1.691656
H 2.860566 0.271736 -0.970252
H 3.593597 1.876901 1.578493
H 3.948275 2.382911 -0.084089
H 5.351074 0.382199 -0.628512
H 5.150622 -0.149481 1.076131
H 4.708470 -1.248382 -0.266117
H 2.130725 -0.184091 1.824634
H 2.268284 4.430967 1.205319
H 0.406037 0.956702 -0.378507
H 1.416044 -2.871712 -2.639708
H 1.201764 -3.737162 -1.093643
H -0.940778 -1.732823 -1.930422
H -0.849137 -3.287160 -2.837607
H -3.585470 -2.514788 -1.389493
H -3.790693 -3.120640 0.290633
H -0.246503 4.967269 0.884940
H 0.108858 -2.849965 0.985548
H 1.279618 -2.378441 2.219312
H -1.938477 1.910321 0.299550
H -1.771939 0.800596 -2.356534
H -2.985171 -0.487211 -2.591094
H -3.506098 1.162804 -2.163402
H -2.200859 0.819328 2.635377


