%chk=000256570.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256570

0 1
S 0.548846 3.756942 0.482923
N -0.007864 1.203270 0.568871
N -2.258254 -0.637055 1.161336
C 0.082448 -0.246270 0.246006
C -1.074036 1.575775 1.547462
C -1.313592 -0.852169 0.012222
C -1.712894 0.319456 2.161904
C -3.623135 -0.429209 0.733570
C 0.786866 2.159488 0.041842
C 1.869728 1.834664 -0.947061
C 2.940059 0.926374 -0.401154
C -4.199407 -1.420173 -0.091569
C -4.419804 0.643874 1.171672
C 3.361878 -0.233202 -1.142904
C -5.538378 -1.330799 -0.463227
C -5.762560 0.719891 0.797901
C 3.533400 1.224667 0.806088
C 4.373507 -1.065351 -0.594318
C -6.335232 -0.259951 -0.025104
C 2.807974 -0.581483 -2.416811
C 4.549558 0.387842 1.345232
C 4.958807 -0.732536 0.668087
C 4.797392 -2.227513 -1.316975
C -7.774890 -0.176962 -0.415839
C 3.232607 -1.697876 -3.091077
C 4.240722 -2.536254 -2.531739
H 0.707209 -0.416153 -0.659826
H 0.604257 -0.768486 1.083925
H -1.838385 2.201750 1.024682
H -0.639215 2.220257 2.351812
H -1.734531 -0.457589 -0.940283
H -1.209578 -1.956559 -0.106441
H -0.962895 -0.247472 2.763852
H -2.506092 0.615378 2.884717
H 2.363064 2.788323 -1.278536
H 1.418726 1.434720 -1.885692
H -3.606378 -2.270323 -0.421949
H -4.005842 1.425596 1.804859
H -5.971407 -2.104016 -1.096389
H -6.366992 1.555433 1.148933
H 3.236025 2.114143 1.367377
H 2.045866 0.070212 -2.849663
H 5.734636 -1.380288 1.073116
H 4.993756 0.658594 2.303034
H 5.572951 -2.856611 -0.881345
H -8.408458 -0.689549 0.323235
H -8.128633 0.860465 -0.482818
H -7.970001 -0.643731 -1.390212
H 2.813575 -1.958914 -4.061795
H 4.559096 -3.416924 -3.087731


%chk=000256570-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256570

0 1
S 1.595867 4.050858 0.219871
N 0.133033 1.765941 0.059296
N -2.545301 0.631430 0.389446
C -0.197941 0.379669 -0.357880
C -0.917201 2.457588 0.853228
C -1.684288 0.263982 -0.746207
C -1.935662 1.464292 1.438785
C -3.860424 0.143213 0.490055
C 1.298951 2.421289 -0.253392
C 2.353819 1.657820 -1.051207
C 3.016077 0.487886 -0.313786
C -4.510846 -0.452614 -0.633944
C -4.598968 0.225582 1.709526
C 3.701096 -0.547905 -1.057508
C -5.829690 -0.938500 -0.530956
C -5.920510 -0.258219 1.786639
C 3.010044 0.433734 1.085713
C 4.334947 -1.636101 -0.332893
C -6.568213 -0.856441 0.676262
C 3.795912 -0.548028 -2.491578
C 3.645441 -0.631278 1.795300
C 4.289141 -1.653992 1.099938
C 5.006885 -2.671867 -1.063199
C -7.979903 -1.408525 0.782317
C 4.461449 -1.569177 -3.175243
C 5.069694 -2.645621 -2.457236
H 0.422250 0.088872 -1.218441
H 0.031762 -0.325768 0.464642
H -1.423352 3.204018 0.210372
H -0.421543 3.027160 1.660923
H -1.884392 0.893375 -1.641880
H -1.875917 -0.788694 -1.034093
H -1.453354 0.848968 2.231347
H -2.721671 2.065398 1.930372
H 3.124478 2.397636 -1.329866
H 1.906256 1.306075 -2.002911
H -4.002331 -0.508444 -1.601680
H -4.139790 0.646148 2.609772
H -6.299402 -1.382161 -1.418203
H -6.456473 -0.177344 2.741013
H 2.518686 1.234162 1.650446
H 3.355382 0.273547 -3.065800
H 4.773800 -2.477772 1.637242
H 3.622746 -0.636123 2.890562
H 5.477924 -3.487937 -0.501996
H -7.978544 -2.469346 1.102618
H -8.580613 -0.845989 1.519460
H -8.506157 -1.361347 -0.188068
H 4.523825 -1.544733 -4.268841
H 5.587521 -3.441018 -3.004139


