%chk=000201692.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201692

0 1
S 3.634481 -1.180514 1.787221
N -1.875965 0.774838 0.169161
N 1.919463 -0.106034 -0.576581
C -4.787192 0.390454 -0.257182
C -5.918637 -0.084593 -1.211444
C -5.541664 0.889206 1.004172
C -3.980650 1.530544 -0.919754
C -3.820928 -0.769149 0.061783
C -7.161197 0.753727 -0.868894
C -6.938690 1.336672 0.540778
C -2.768615 1.954636 -0.077550
C -2.617434 -0.307857 0.897200
C -0.648616 1.178483 0.933989
C 0.377396 1.811707 -0.020882
C 0.869962 0.824289 -1.090173
C 3.241298 0.414381 -0.430320
C 1.501639 -1.316681 0.040210
C 4.137697 -0.045990 0.552966
C 2.257389 -1.957500 1.041320
C 3.706838 1.388215 -1.341329
C 0.316825 -1.952625 -0.404514
C 5.448595 0.417438 0.622313
C 1.896083 -3.210807 1.536963
C 5.012815 1.868219 -1.262387
C 5.898549 1.389524 -0.285356
C -0.051735 -3.192583 0.108239
C 0.736686 -3.834285 1.071628
C 7.302118 1.893821 -0.203685
H -6.128357 -1.156826 -1.055410
H -5.635749 0.019095 -2.269721
H -4.999852 1.706110 1.505421
H -5.626292 0.077592 1.746703
H -4.635858 2.402894 -1.095506
H -3.629989 1.197363 -1.916221
H -3.455365 -1.206669 -0.888761
H -4.348321 -1.581366 0.593335
H -8.075642 0.139787 -0.907675
H -7.300665 1.563251 -1.605407
H -7.010986 2.437104 0.521324
H -7.715127 0.988819 1.241636
H -2.179716 2.715595 -0.634439
H -3.111313 2.437346 0.864072
H -2.954353 0.005998 1.908224
H -1.917171 -1.162419 1.037214
H -0.865439 1.880504 1.767101
H -0.196809 0.273037 1.400249
H -0.068079 2.691370 -0.526260
H 1.232017 2.198777 0.569388
H 1.281684 1.376926 -1.965250
H 0.006074 0.226719 -1.479038
H 3.044115 1.764517 -2.121311
H -0.316701 -1.459097 -1.146836
H 6.129244 0.031286 1.382962
H 2.512048 -3.702075 2.292522
H 5.346674 2.620891 -1.975623
H -0.963386 -3.670907 -0.249928
H 0.448203 -4.808896 1.455151
H 7.522743 2.306081 0.791217
H 8.024623 1.085639 -0.389662
H 7.511235 2.686017 -0.933663


%chk=000201692-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201692

0 1
S 2.697391 -1.201655 1.956053
N -1.718905 1.162758 0.117948
N 1.632358 -0.098636 -0.692878
C -4.588246 0.343616 0.246213
C -5.721398 -0.586309 -0.275903
C -5.371430 1.232766 1.263442
C -3.989941 1.195212 -0.913850
C -3.433914 -0.463372 0.894428
C -6.978275 0.317802 -0.412839
C -6.768883 1.481319 0.617694
C -2.768688 2.027614 -0.471160
C -2.236038 0.419940 1.295366
C -0.450351 1.882383 0.388437
C 0.396898 2.084821 -0.889286
C 0.756239 0.734347 -1.551130
C 2.932969 0.386550 -0.352805
C 1.315300 -1.475866 -0.483812
C 3.600365 -0.079877 0.813664
C 1.786867 -2.155406 0.675314
C 3.617419 1.332270 -1.160959
C 0.544337 -2.220655 -1.418794
C 4.897805 0.352158 1.141990
C 1.509139 -3.519121 0.891689
C 4.904097 1.794084 -0.807419
C 5.572300 1.313553 0.344123
C 0.230343 -3.576397 -1.182942
C 0.710928 -4.235760 -0.029747
C 6.954965 1.810083 0.729193
H -5.903594 -1.381000 0.475755
H -5.448499 -1.088173 -1.223227
H -4.851629 2.176000 1.509915
H -5.485084 0.670220 2.211734
H -4.757706 1.872641 -1.336652
H -3.667876 0.512210 -1.724962
H -3.070884 -1.224406 0.174760
H -3.809721 -1.002340 1.787411
H -7.908916 -0.245291 -0.219601
H -7.056381 0.720984 -1.439267
H -6.797953 2.461518 0.106899
H -7.564814 1.499973 1.383792
H -2.348690 2.555783 -1.347426
H -3.089854 2.818924 0.257126
H -2.540636 1.118076 2.118681
H -1.419481 -0.213918 1.688065
H -0.630622 2.874807 0.872820
H 0.140217 1.276811 1.101287
H -0.159355 2.689515 -1.632631
H 1.306812 2.656908 -0.629446
H 1.198822 0.892639 -2.557140
H -0.195915 0.194128 -1.675118
H 3.148157 1.705763 -2.075775
H 0.197907 -1.743836 -2.340137
H 5.383622 -0.050552 2.038612
H 1.903433 -4.011835 1.786953
H 5.399457 2.532505 -1.449063
H -0.376383 -4.121048 -1.914842
H 0.477408 -5.290107 0.149873
H 6.918487 2.448554 1.633030
H 7.639304 0.970634 0.951656
H 7.406720 2.407691 -0.081410


