%chk=000196933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196933

0 1
S 0.627709 -3.268867 -0.644350
N 3.198790 1.503938 -0.414651
N 4.950066 1.462304 1.020609
C -1.798379 1.410781 -0.016368
C -0.579871 1.954090 -0.803547
C -1.875197 -0.104425 -0.174119
C 0.711633 1.281564 -0.319941
C -3.078757 2.059694 -0.596023
C 0.652054 -0.237346 -0.545417
C -1.659619 1.705722 1.504436
C -0.697513 -0.865404 -0.337269
C -4.331245 1.499341 0.080196
C -3.123172 -0.754281 -0.127019
C -4.436511 -0.017604 -0.106938
C 1.931272 1.901840 -1.047167
C -0.794448 -2.265758 -0.371582
C -1.577093 3.186684 1.857651
C -3.188507 -2.159293 -0.157811
C -2.024560 -2.915570 -0.266889
C 3.967948 0.378058 -0.741127
C 3.827131 2.134669 0.676471
C 1.197416 -3.615897 1.064119
C 5.044416 0.376101 0.150732
C 2.494420 -4.382589 0.930352
H -0.518415 3.050889 -0.683976
H -0.726410 1.767081 -1.884410
H 0.824334 1.471417 0.779845
H -3.127789 1.874292 -1.686315
H -3.038793 3.157191 -0.471897
H 1.410314 -0.721687 0.110499
H 0.977682 -0.481227 -1.582882
H -0.762060 1.181426 1.892203
H -2.517141 1.245046 2.035985
H -5.234942 1.990328 -0.328174
H -4.317042 1.745586 1.161358
H -4.956626 -0.231899 -1.067612
H -5.090962 -0.439760 0.684159
H 1.856932 3.013823 -1.035446
H 1.941237 1.602424 -2.120121
H -2.473987 3.731505 1.540679
H -1.479757 3.323415 2.941473
H -0.713480 3.671890 1.389769
H -4.152502 -2.660490 -0.103728
H -2.080048 -4.005369 -0.285571
H 3.719329 -0.300443 -1.532621
H 3.456273 3.029600 1.147098
H 1.334943 -2.668660 1.615912
H 0.426588 -4.200341 1.597999
H 5.860815 -0.320774 0.215176
H 2.367495 -5.323795 0.377070
H 3.269442 -3.801805 0.410314
H 2.899587 -4.643014 1.918266


%chk=000196933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196933

0 1
S 0.651428 -3.383960 -0.637967
N 3.234173 1.385326 -0.461021
N 5.051346 1.122325 0.879697
C -1.836648 1.412892 -0.000331
C -0.584180 1.967079 -0.734240
C -1.928540 -0.114020 -0.200810
C 0.710919 1.271467 -0.271663
C -3.103466 2.099989 -0.588343
C 0.632735 -0.246202 -0.548571
C -1.737070 1.659953 1.552689
C -0.737259 -0.893211 -0.340080
C -4.405876 1.539814 0.015655
C -3.203286 -0.753682 -0.202451
C -4.521654 0.022336 -0.249478
C 1.946216 1.909336 -0.955062
C -0.840634 -2.312608 -0.389845
C -1.606758 3.132018 2.001226
C -3.270406 -2.166464 -0.255834
C -2.100850 -2.945870 -0.329195
C 3.948791 0.287016 -0.961165
C 3.938059 1.848996 0.650223
C 1.314984 -3.463869 1.156248
C 5.061717 0.142711 -0.127989
C 2.707281 -4.107940 1.149070
H -0.513500 3.061078 -0.572488
H -0.715935 1.813679 -1.826202
H 0.826718 1.434193 0.818138
H -3.112114 1.944110 -1.686954
H -3.043831 3.193142 -0.424764
H 1.401451 -0.777795 0.038463
H 0.913331 -0.430144 -1.608440
H -0.881996 1.079653 1.948498
H -2.627027 1.211600 2.032455
H -5.281554 2.058774 -0.418218
H -4.431796 1.743423 1.102303
H -4.947847 -0.127478 -1.263797
H -5.247977 -0.436019 0.449612
H 1.938229 3.002514 -0.782871
H 1.898004 1.745777 -2.048276
H -2.468950 3.742154 1.675939
H -1.558942 3.190376 3.104215
H -0.689687 3.607811 1.607658
H -4.251195 -2.658393 -0.250367
H -2.154357 -4.038463 -0.363790
H 3.615768 -0.268267 -1.834238
H 3.612470 2.706993 1.234684
H 1.346837 -2.433076 1.548498
H 0.589827 -4.048568 1.746110
H 5.862842 -0.590025 -0.191693
H 2.679299 -5.122639 0.712401
H 3.423882 -3.500054 0.568687
H 3.090030 -4.193387 2.183074


