%chk=000194056.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194056

0 1
S -3.450885 -2.890745 0.098794
S -3.959042 2.368402 -0.092838
S 4.147799 -2.163409 -0.085517
S 5.455072 4.665527 -0.008583
O -3.393852 -3.160257 1.759998
O -3.928665 2.661737 -1.751587
O 3.974620 -2.569201 -1.707711
O -4.848859 -2.721746 -0.194357
O -2.699761 -3.958785 -0.499637
O -5.305388 1.934202 0.168258
O -3.435891 3.555411 0.524894
O 5.506877 -1.712071 0.038131
O 3.665904 -3.286927 0.662456
N 3.376086 2.864225 0.004423
C -0.631622 0.036659 0.013627
C 0.809825 0.174067 0.009508
C -1.222998 -1.263962 0.022132
C -1.460999 1.200447 0.007288
C 1.648379 -0.985536 0.001405
C 1.391645 1.470534 0.010458
C -2.627416 -1.381330 0.030206
C -2.863452 1.044787 -0.013662
C 3.040840 -0.822554 -0.023690
C -0.341935 -2.416869 0.021838
C -0.823085 2.501828 0.028615
C 1.004547 -2.289073 0.017613
C -3.424016 -0.233644 0.004534
C 0.524580 2.631725 0.028527
C 2.806710 1.587046 -0.001584
C 3.623585 0.442463 -0.022287
C 4.368395 3.556266 -0.003519
H -0.784223 -3.430611 0.008476
H -1.452839 3.409469 0.067745
H 1.633207 -3.196075 0.040251
H -4.530375 -0.341747 -0.001455
H 0.991269 3.624045 0.046036
H 4.718960 0.553548 -0.035241
H -4.086667 -3.725196 2.134122
H -4.740451 3.019028 -2.143156
H 4.735520 -2.989381 -2.138708


%chk=000194056-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194056

0 1
S -3.560176 -2.990576 0.040074
S -4.063004 2.476716 -0.034470
S 4.262657 -2.245068 0.024867
S 5.071109 5.147262 -0.149133
O -3.123123 -3.376537 1.800806
O -3.698262 2.952998 -1.791321
O 3.886489 -2.791895 -1.706522
O -5.140075 -2.684325 -0.089925
O -2.876115 -4.112784 -0.904102
O -5.562314 1.890097 0.085309
O -3.595282 3.697419 0.919715
O 5.757902 -1.637806 0.103381
O 3.822988 -3.428789 1.035912
N 3.417911 2.848139 -0.082758
C -0.622801 0.036940 -0.003514
C 0.810796 0.169154 -0.007604
C -1.220884 -1.284041 0.017449
C -1.452758 1.225807 -0.021073
C 1.638124 -1.018827 0.010755
C 1.404843 1.480816 -0.039160
C -2.638709 -1.345504 0.017315
C -2.858145 1.028021 -0.016017
C 3.041137 -0.802901 -0.002112
C -0.364074 -2.444209 0.038123
C -0.823502 2.524811 -0.044923
C 1.011670 -2.315738 0.039122
C -3.474502 -0.225871 0.001499
C 0.553162 2.639898 -0.056050
C 2.834123 1.607928 -0.051522
C 3.652740 0.449208 -0.039419
C 4.145721 3.817786 -0.110624
H -0.814433 -3.439228 0.042578
H -1.447389 3.421391 -0.043807
H 1.637277 -3.210937 0.067713
H -4.567145 -0.327243 0.003147
H 1.017147 3.630306 -0.076246
H 4.743898 0.533905 -0.052709
H -3.544502 -4.253300 2.040390
H -4.297554 3.718018 -2.034687
H 4.446450 -3.598745 -1.904658


