%chk=000252334.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252334

0 1
S 8.257049 1.188767 -0.000981
N -6.097433 1.267499 0.389174
N -3.715032 -1.657865 0.644795
N 1.831348 -0.699622 0.050791
N 2.345804 0.390499 0.412233
C -5.057204 0.322206 -0.123420
C -4.695694 -0.624655 1.045491
C -5.465345 2.500205 0.970685
C -7.109268 1.613564 -0.663144
C -2.362245 -1.360927 0.453179
C -1.520762 -2.332386 -0.226236
C -0.128642 -2.080360 -0.346294
C -6.444772 3.183979 1.925386
C -8.033829 0.421985 -0.916230
C -1.794715 -0.189631 0.961617
C 0.418790 -0.862085 0.201817
C -2.050677 -3.539684 -0.778931
C -0.418375 0.048723 0.839088
C 0.693344 -3.043368 -1.016447
C -1.241393 -4.446907 -1.416594
C 0.153500 -4.192793 -1.535549
C 3.776484 0.522543 0.271099
C 4.682011 -0.555049 0.203562
C 4.251359 1.847306 0.261947
C 6.050797 -0.305971 0.127658
C 5.624234 2.091886 0.178461
C 6.513094 1.017742 0.113492
C 8.600693 2.954343 0.131244
H -5.457803 -0.271440 -0.972897
H -4.145766 0.826695 -0.509233
H -5.612546 -1.139571 1.415089
H -4.303984 -0.045332 1.912400
H -4.557794 2.196939 1.539021
H -5.124356 3.216798 0.192299
H -7.715760 2.469274 -0.286842
H -6.644149 1.949354 -1.614855
H -4.106685 -2.427257 0.101633
H -7.301011 3.617419 1.396086
H -6.850466 2.465857 2.651423
H -5.953355 3.987009 2.484162
H -8.878121 0.709077 -1.551593
H -8.440250 0.036003 0.028857
H -7.513704 -0.408725 -1.404999
H -2.408465 0.546333 1.475118
H -3.118405 -3.742173 -0.686307
H -0.002266 0.971822 1.255939
H 1.763932 -2.841079 -1.104104
H -1.648477 -5.364896 -1.834853
H 0.780778 -4.924343 -2.043792
H 4.307316 -1.580051 0.213073
H 3.545251 2.676891 0.318419
H 6.749655 -1.142594 0.079864
H 5.977833 3.120998 0.165777
H 8.242287 3.377607 1.076374
H 9.693562 3.073525 0.100215
H 8.175329 3.523719 -0.702666


%chk=000252334-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252334

0 1
S 8.346299 1.320201 -0.160917
N -6.121484 1.343885 0.303786
N -3.728309 -1.628250 0.390043
N 1.873542 -0.758668 -0.068224
N 2.334659 0.423092 0.293477
C -5.183226 0.340345 -0.250093
C -4.716599 -0.647311 0.856516
C -5.425721 2.524857 0.885951
C -7.226337 1.710438 -0.622490
C -2.365170 -1.400430 0.265952
C -1.490108 -2.461148 -0.223179
C -0.068424 -2.214012 -0.328123
C -6.231982 3.208954 2.006575
C -8.296381 0.609137 -0.744243
C -1.792716 -0.151383 0.622952
C 0.474756 -0.923651 0.057130
C -1.989285 -3.748905 -0.607560
C -0.408243 0.075312 0.524756
C 0.782722 -3.260034 -0.811601
C -1.136563 -4.752409 -1.076702
C 0.264585 -4.503655 -1.179964
C 3.745524 0.570250 0.163027
C 4.644787 -0.431413 -0.313709
C 4.269886 1.832237 0.549005
C 6.018820 -0.166233 -0.395752
C 5.650487 2.101591 0.467370
C 6.535881 1.102804 -0.006035
C 8.601395 3.076768 0.444897
H -5.692026 -0.240016 -1.040897
H -4.291204 0.810175 -0.727973
H -5.603151 -1.187827 1.231922
H -4.308492 -0.084425 1.716264
H -4.463948 2.176731 1.308677
H -5.165615 3.271957 0.094387
H -7.706757 2.622266 -0.223927
H -6.837675 1.976076 -1.637913
H -4.087683 -2.533641 0.094920
H -7.200891 3.594063 1.640589
H -6.437552 2.491200 2.819595
H -5.667492 4.065008 2.420949
H -9.108587 0.932671 -1.421629
H -8.727769 0.388075 0.247502
H -7.877978 -0.329374 -1.152080
H -2.434962 0.658043 0.981577
H -3.059189 -3.982106 -0.541714
H 0.018082 1.042673 0.808179
H 1.852290 -3.045661 -0.879806
H -1.543538 -5.728023 -1.363868
H 0.931576 -5.291136 -1.547679
H 4.239481 -1.403073 -0.610691
H 3.570055 2.591975 0.913073
H 6.703357 -0.940516 -0.761845
H 6.020246 3.084927 0.773285
H 8.277713 3.177940 1.492558
H 9.685538 3.254736 0.375779
H 8.069076 3.792715 -0.200578


