%chk=000201648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201648

0 1
S 0.567377 2.007029 0.022391
S 6.663561 -2.890566 -0.045664
O 6.391421 2.086952 0.014782
N 4.388507 -1.538751 -0.025858
N 3.298658 1.880172 0.016837
N 6.420576 -0.225636 -0.013118
N 2.269115 -0.174049 -0.006337
C -5.597873 -0.243906 0.004375
C -4.500947 0.829397 0.015488
C -6.997249 0.386100 0.013712
C -3.102707 0.197659 0.005827
C -8.094698 -0.686657 0.002154
C -2.005681 1.275092 0.017132
C -9.493973 -0.056936 0.011787
C -10.592990 -1.128888 0.000307
C -0.628014 0.628697 0.007565
C 4.314020 0.905829 0.003621
C 3.650894 -0.353122 -0.010536
C -11.987946 -0.507675 0.009755
C 2.098135 1.187435 0.010281
C 5.748496 1.059120 0.003343
C 5.789164 -1.474276 -0.027228
C 3.699198 -2.853059 -0.040681
C 7.910510 -0.211350 -0.015161
H -5.483626 -0.891464 -0.886493
H -5.481197 -0.912221 0.879462
H -4.620820 1.497283 -0.859683
H -4.618141 1.476236 0.906684
H -7.116082 1.054207 -0.861110
H -7.113861 1.032934 0.904673
H -2.988467 -0.449329 -0.885970
H -2.985846 -0.470559 0.881483
H -7.979743 -1.333590 -0.888905
H -7.977280 -1.355146 0.876829
H -2.135997 1.941356 -0.861452
H -2.133573 1.920294 0.911646
H -9.611506 0.590080 0.902219
H -9.613980 0.611537 -0.862315
H -10.478466 -1.775940 -0.891341
H -10.476035 -1.797335 0.875711
H -0.465786 -0.004628 -0.887623
H -0.463381 -0.025784 0.886954
H -12.765318 -1.279896 0.000575
H -12.151204 0.132071 -0.864958
H -12.149371 0.109273 0.901024
H 3.462771 2.874201 0.028544
H 3.979989 -3.428319 -0.944147
H 2.603014 -2.713518 -0.036713
H 3.983625 -3.450447 0.847161
H 8.306449 -0.711461 -0.918133
H 8.275760 0.833737 -0.003041
H 8.309119 -0.733180 0.874244


%chk=000201648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201648

0 1
S 0.714088 2.323240 -0.060815
S 6.458361 -3.138138 0.126596
O 6.581191 1.985276 -0.103948
N 4.276197 -1.510978 0.067059
N 3.481212 1.948916 -0.078062
N 6.408859 -0.394523 0.001288
N 2.301131 -0.000208 0.014966
C -5.559629 -0.180287 -0.085891
C -4.479312 0.917774 0.035676
C -6.999256 0.361581 0.063114
C -3.039972 0.369406 -0.094969
C -8.081664 -0.733011 -0.072385
C -1.967339 1.483016 -0.004446
C -9.521390 -0.193086 0.082590
C -10.604360 -1.287185 -0.057590
C -0.552050 0.895562 -0.093372
C 4.423092 0.911072 -0.039454
C 3.666704 -0.265521 0.016603
C -12.039371 -0.738466 0.097121
C 2.225468 1.357955 -0.042299
C 5.854704 0.946014 -0.052499
C 5.681032 -1.606479 0.061719
C 3.446954 -2.732839 0.129750
C 7.887846 -0.483123 -0.007222
H -5.458906 -0.686674 -1.068650
H -5.380728 -0.959111 0.684811
H -4.651024 1.688245 -0.744682
H -4.588357 1.433174 1.012495
H -7.176081 1.147453 -0.700974
H -7.103438 0.859348 1.049971
H -2.936854 -0.164193 -1.062218
H -2.861733 -0.383422 0.700402
H -7.980689 -1.227651 -1.061255
H -7.903080 -1.521684 0.688520
H -2.130173 2.212417 -0.822691
H -2.087339 2.033765 0.949067
H -9.625347 0.298414 1.072746
H -9.701093 0.597449 -0.676135
H -10.499254 -1.778629 -1.046470
H -10.425302 -2.076124 0.701472
H -0.381619 0.342821 -1.030978
H -0.310194 0.239912 0.757595
H -12.793794 -1.540725 -0.000880
H -12.256642 0.025872 -0.672915
H -12.177117 -0.264003 1.087272
H 3.705993 2.942508 -0.127820
H 3.671682 -3.383076 -0.731510
H 2.393059 -2.417538 0.118330
H 3.677680 -3.296210 1.048853
H 8.223340 -1.071158 -0.877127
H 8.274920 0.545196 -0.055525
H 8.238194 -0.993339 0.904862


