%chk=000241034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241034

0 1
S 0.012798 0.613881 1.044506
S 0.444115 -0.269515 -1.735076
S -1.190359 -1.960896 1.571743
N 2.443473 0.143787 -0.005967
N -2.455880 -0.064627 0.121070
C 3.433027 -0.134576 -1.124558
C 3.048196 0.339358 1.367951
C -2.500678 1.296633 -0.543381
C -3.718270 -0.897999 -0.030462
C 4.461356 0.997221 -1.197505
C 4.081565 -1.501509 -0.905088
C 2.690474 1.705727 1.955619
C 2.688975 -0.823339 2.289933
C -3.439989 2.205467 0.256374
C -2.932470 1.165033 -2.005673
C -4.368234 -1.156659 1.328100
C -3.437132 -2.179533 -0.810947
C 1.128986 0.117168 -0.267274
C -1.391261 -0.521695 0.786921
H 2.873458 -0.157396 -2.105851
H 4.166968 0.321169 1.212677
H -1.470158 1.749883 -0.542614
H -4.431432 -0.269779 -0.639064
H 5.103994 1.049647 -0.310626
H 5.118617 0.857921 -2.065320
H 3.975230 1.974436 -1.313000
H 3.319597 -2.290965 -0.820078
H 4.701958 -1.545828 -0.004396
H 4.720594 -1.766331 -1.756550
H 1.802105 1.675841 2.602541
H 3.507972 2.077293 2.586146
H 2.511262 2.463347 1.183257
H 2.927703 -1.794479 1.838779
H 1.616995 -0.868495 2.543931
H 3.230686 -0.749497 3.239226
H -3.127924 2.286071 1.305159
H -4.477486 1.853504 0.251358
H -3.440326 3.219524 -0.161866
H -3.962569 0.810151 -2.122015
H -2.855902 2.132258 -2.516538
H -2.275391 0.465938 -2.547076
H -4.456360 -0.243348 1.925593
H -3.800163 -1.880484 1.934188
H -5.371799 -1.577077 1.200362
H -2.899773 -2.929841 -0.209428
H -4.369288 -2.646179 -1.144414
H -2.813360 -1.993409 -1.694865


%chk=000241034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241034

0 1
S -0.008098 0.684701 0.968835
S 0.583388 -0.426043 -1.853349
S -1.180184 -2.106866 1.473060
N 2.516635 0.195544 0.006958
N -2.533034 -0.121909 0.097508
C 3.552750 0.034657 -1.082816
C 3.071623 0.274694 1.414558
C -2.562635 1.179862 -0.675473
C -3.840475 -0.893365 0.093966
C 4.571124 1.195935 -1.077027
C 4.216764 -1.358636 -1.014197
C 2.873973 1.654207 2.088208
C 2.625676 -0.913673 2.299020
C -3.413423 2.234168 0.066962
C -3.004739 0.964595 -2.139883
C -4.396418 -1.121016 1.517499
C -3.761510 -2.189176 -0.745041
C 1.190523 0.097619 -0.336032
C -1.426943 -0.593845 0.737280
H 2.977105 0.083664 -2.023809
H 4.159466 0.159181 1.260747
H -1.518631 1.530398 -0.705254
H -4.544145 -0.211664 -0.416351
H 5.233683 1.188740 -0.191855
H 5.216025 1.106940 -1.970020
H 4.056199 2.171695 -1.123103
H 3.449885 -2.150052 -1.070239
H 4.804845 -1.496909 -0.087824
H 4.905083 -1.482507 -1.869884
H 1.829043 1.820006 2.396256
H 3.505319 1.703530 2.994944
H 3.177347 2.472547 1.411539
H 2.865436 -1.873296 1.808675
H 1.545193 -0.900980 2.509424
H 3.172154 -0.867544 3.259660
H -3.004687 2.429396 1.074134
H -4.468010 1.919107 0.172880
H -3.403505 3.182423 -0.500307
H -4.062113 0.658087 -2.237179
H -2.885195 1.918900 -2.684243
H -2.357190 0.213671 -2.621999
H -4.462970 -0.168122 2.072623
H -3.771303 -1.822201 2.092231
H -5.413792 -1.546363 1.435615
H -3.095549 -2.927178 -0.271259
H -4.774310 -2.625360 -0.828228
H -3.386480 -1.979759 -1.761407


