%chk=000251560.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251560

0 1
S -0.019768 3.716425 -1.312389
S 2.816515 3.072028 -0.580807
N 1.597025 -0.191113 1.071055
N 0.605715 2.065961 0.592738
C 1.357168 1.181873 1.548771
C 0.393626 -0.975240 0.835101
C -0.826889 2.122773 0.577714
C 2.778366 -0.498464 0.310292
C -0.307862 -0.933752 -0.350271
C -1.331911 2.993701 -0.416043
C -1.491092 -1.719805 -0.503896
C -0.038892 -1.802488 1.921225
C 1.221999 2.865241 -0.352753
C -1.929655 -2.537429 0.570808
C -1.172131 -2.561468 1.785415
C -1.707654 1.439097 1.427568
C 2.809832 -1.610322 -0.554059
C 3.957028 0.245215 0.531905
C -2.696586 3.193545 -0.582247
C -2.247985 -1.698479 -1.719324
C -3.116523 -3.321183 0.412111
C -3.078141 1.643163 1.255880
C -3.571474 2.508143 0.265901
C 4.002093 -1.954977 -1.194409
C 5.134721 -0.112031 -0.121942
C -3.382617 -2.459901 -1.843029
C -3.822594 -3.282204 -0.763932
C 5.165993 -1.210926 -0.987783
H 0.756148 1.124386 2.492103
H 2.341921 1.675596 1.781889
H 0.025306 -0.307837 -1.179681
H 0.556511 -1.824300 2.834064
H -1.512182 -3.201725 2.599566
H -1.341565 0.753358 2.189443
H 1.921925 -2.213913 -0.728475
H 3.954628 1.103939 1.203715
H -3.076054 3.865901 -1.351092
H -1.903472 -1.066908 -2.537721
H -3.443685 -3.947873 1.240515
H -3.780540 1.115215 1.902894
H -4.646598 2.644121 0.157771
H 4.018846 -2.814526 -1.864043
H 6.038768 0.473421 0.044712
H -3.964142 -2.450711 -2.764076
H -4.725833 -3.876440 -0.894192
H 6.087712 -1.481083 -1.495292


%chk=000251560-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251560

0 1
S 0.902850 4.869484 0.703908
S 3.178375 3.389747 2.193033
N 1.190384 -0.183133 0.828413
N 0.789139 2.281196 1.265540
C 1.163029 0.911054 1.792727
C 0.113318 -1.139114 0.814590
C -0.480613 2.581615 0.702345
C 2.339255 -0.381292 -0.014949
C -0.453779 -1.565266 -0.396100
C -0.605481 3.942871 0.308735
C -1.515970 -2.521696 -0.423343
C -0.391277 -1.676871 2.049565
C 1.661373 3.362242 1.435460
C -2.035120 -3.044918 0.825834
C -1.442634 -2.593729 2.050418
C -1.578059 1.706005 0.541019
C 2.674258 -1.686879 -0.476207
C 3.190665 0.700792 -0.363107
C -1.785349 4.442354 -0.268649
C -2.100640 -2.969178 -1.656502
C -3.108273 -3.994320 0.795557
C -2.766818 2.205940 -0.033166
C -2.873869 3.556937 -0.443909
C 3.817289 -1.892759 -1.273666
C 4.341008 0.479686 -1.151606
C -3.147417 -3.893293 -1.654746
C -3.655576 -4.412543 -0.419852
C 4.662054 -0.812243 -1.621485
H 0.428182 0.675205 2.579612
H 2.157520 1.065371 2.248460
H -0.077982 -1.156009 -1.340287
H 0.080536 -1.393338 2.996637
H -1.810718 -2.999792 3.000061
H -1.521040 0.660068 0.845569
H 2.049642 -2.541222 -0.199687
H 2.978407 1.715009 -0.019602
H -1.863360 5.492254 -0.567152
H -1.711252 -2.573923 -2.602111
H -3.494399 -4.389887 1.742659
H -3.618167 1.529327 -0.160683
H -3.803664 3.922742 -0.891211
H 4.055557 -2.907852 -1.611389
H 4.983060 1.332022 -1.400346
H -3.585267 -4.228811 -2.601238
H -4.474936 -5.139311 -0.435165
H 5.551759 -0.976539 -2.238285


