%chk=000206285.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206285

0 1
S -0.553375 -0.990519 -0.302391
S 0.153228 0.970336 -0.394667
N -1.377139 -2.807357 -0.074576
N 1.674813 3.192123 -0.324171
C -2.080709 -2.352031 1.193772
C 2.054661 2.421722 0.901859
C -1.791502 -0.832508 1.090689
C 1.534312 0.962628 0.804432
C -2.929736 0.063862 0.735095
C 2.538576 -0.087527 0.430072
C -3.542104 -2.745133 1.343229
C 3.543031 2.471305 1.277869
C -0.376270 -3.888812 0.171321
C -2.268290 -3.161102 -1.217515
C 1.489885 4.641794 -0.006789
C 2.606228 3.042084 -1.475835
C -3.563091 0.008887 -0.516961
C 2.994133 -0.259404 -0.886186
C -3.383772 0.993175 1.688241
C 3.035137 -0.938495 1.434926
C -4.628928 0.862618 -0.808902
C 3.919914 -1.257641 -1.193567
C -4.451495 1.844409 1.393045
C 3.963466 -1.935736 1.125387
C -5.079061 1.780400 0.145432
C 4.409098 -2.099627 -0.189179
H -1.526607 -2.760318 2.081540
H 1.478679 2.888807 1.752862
H -1.273361 -0.468356 2.002876
H 1.102198 0.709023 1.805354
H -3.951811 -2.341102 2.279748
H -4.177220 -2.345454 0.540970
H -3.673252 -3.832019 1.364122
H 3.730647 1.947059 2.220525
H 4.173354 1.991351 0.519012
H 3.890180 3.502341 1.391943
H 0.351617 -3.561901 0.935843
H -0.827164 -4.838913 0.489938
H 0.210143 -4.067915 -0.747462
H -2.873639 -4.061791 -1.045871
H -2.947390 -2.309296 -1.435977
H -1.657307 -3.314251 -2.124315
H 1.113426 5.155402 -0.906263
H 0.709437 4.744310 0.764096
H 2.396300 5.160360 0.335089
H 2.684169 1.968669 -1.739950
H 2.165553 3.547804 -2.350418
H 3.617530 3.438998 -1.313939
H -3.206514 -0.693239 -1.277313
H 2.611203 0.397767 -1.677786
H -2.894745 1.063365 2.657356
H 2.695328 -0.823013 2.461117
H -5.104218 0.819870 -1.787015
H 4.259931 -1.382048 -2.219678
H -4.790552 2.564223 2.135538
H 4.341321 -2.585429 1.911644
H -5.906304 2.446995 -0.085183
H 5.130858 -2.875050 -0.429832


%chk=000206285-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206285

0 1
S -0.526049 -1.115434 -0.642922
S 0.420538 1.038481 -0.733423
N -2.064385 -3.210186 0.232617
N 2.049895 3.184548 -0.042603
C -2.077458 -2.186184 1.321063
C 2.112592 2.187581 1.068259
C -1.840073 -0.761268 0.705412
C 1.851927 0.746003 0.505111
C -3.055047 0.019355 0.210971
C 3.036795 -0.020749 -0.077089
C -3.284908 -2.272805 2.285073
C 3.361251 2.297767 1.977297
C -1.343570 -4.452519 0.564049
C -3.337453 -3.459754 -0.471538
C 1.341003 4.432843 0.293218
C 3.294928 3.423853 -0.798792
C -3.495479 -0.000806 -1.136954
C 3.350944 -0.028891 -1.460143
C -3.774114 0.819963 1.139260
C 3.859622 -0.776387 0.801682
C -4.634748 0.731493 -1.538389
C 4.467939 -0.744390 -1.945756
C -4.914324 1.553720 0.742540
C 4.977940 -1.493247 0.320412
C -5.353994 1.508142 -0.600488
C 5.290945 -1.475913 -1.058247
H -1.159694 -2.388316 1.907023
H 1.221611 2.402233 1.690043
H -1.329595 -0.149022 1.471360
H 1.422994 0.142829 1.326602
H -3.160656 -1.568241 3.127838
H -4.234513 -2.025235 1.781368
H -3.364822 -3.292193 2.706767
H 3.273619 1.614285 2.841963
H 4.288913 2.038527 1.439527
H 3.458398 3.327005 2.370618
H -0.332009 -4.210388 0.932379
H -1.864166 -5.079741 1.329612
H -1.232575 -5.063305 -0.350326
H -4.042243 -4.099310 0.112169
H -3.842272 -2.509295 -0.698302
H -3.125873 -3.972810 -1.427631
H 1.192087 5.025250 -0.627891
H 0.345547 4.196917 0.706734
H 1.890578 5.076411 1.024656
H 3.792827 2.470210 -1.027717
H 3.046799 3.919865 -1.755178
H 4.020181 4.075514 -0.254307
H -2.910408 -0.566533 -1.870644
H 2.688027 0.504191 -2.150704
H -3.430972 0.877516 2.180309
H 3.616018 -0.812022 1.871278
H -4.952617 0.706732 -2.587196
H 4.687918 -0.741214 -3.019655
H -5.450236 2.167484 1.475858
H 5.595493 -2.072081 1.017044
H -6.233543 2.081763 -0.914298
H 6.153264 -2.036543 -1.436720


