%chk=000187989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187989

0 1
S 0.228737 -2.325978 -1.003234
O 0.399015 2.572454 0.192519
N 2.099056 -0.386857 -0.795979
N -0.007787 0.308141 -0.296535
C 2.264658 1.014255 -0.291107
C 3.060060 1.084205 1.019944
C 4.347569 0.257115 0.919573
C 3.281362 -1.280212 -0.790404
C 4.039887 -1.197364 0.542661
C 0.804855 1.477909 -0.083314
C 0.784899 -0.817454 -0.667686
C -1.456123 0.295485 -0.215987
C -2.104644 -0.708345 0.511801
C -2.173003 1.320377 -0.855664
C -3.507770 -0.701977 0.581291
C -3.565851 1.317335 -0.766190
C -4.234102 0.314021 -0.058705
C -4.208475 -1.780795 1.340412
H 2.753870 1.627774 -1.090507
H 2.444668 0.715490 1.866628
H 3.291245 2.142797 1.254566
H 4.886301 0.290265 1.886944
H 5.033672 0.706690 0.175207
H 3.933789 -0.964512 -1.637386
H 2.960330 -2.329521 -1.000267
H 4.977181 -1.782019 0.469356
H 3.446321 -1.680527 1.345188
H -1.538977 -1.497092 1.008116
H -1.655188 2.108481 -1.398915
H -4.136720 2.106252 -1.256084
H -5.320430 0.323130 -0.005943
H -3.898031 -1.794720 2.395085
H -5.300435 -1.673900 1.325357
H -3.975037 -2.772105 0.922056


%chk=000187989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187989

0 1
S 0.223625 -2.423104 -1.095061
O 0.379793 2.532273 0.346562
N 2.087006 -0.457420 -0.590520
N -0.025973 0.263434 -0.298777
C 2.230717 0.951406 -0.185596
C 3.108472 1.080691 1.085051
C 4.442459 0.325823 0.865383
C 3.284203 -1.290359 -0.752640
C 4.189365 -1.158346 0.497435
C 0.776473 1.396517 -0.003535
C 0.777500 -0.875908 -0.656935
C -1.468644 0.279274 -0.237906
C -2.158552 -0.707660 0.497989
C -2.170537 1.313045 -0.899888
C -3.573822 -0.691460 0.568458
C -3.577431 1.341662 -0.819365
C -4.273881 0.345632 -0.097130
C -4.311907 -1.768306 1.344476
H 2.693537 1.540284 -1.005659
H 2.566266 0.646044 1.946350
H 3.273032 2.151294 1.299606
H 5.062172 0.389110 1.778678
H 5.017489 0.817233 0.053234
H 3.834739 -0.963464 -1.658746
H 2.945960 -2.328636 -0.912368
H 5.146771 -1.675892 0.300922
H 3.703815 -1.672672 1.349162
H -1.593738 -1.498778 1.000295
H -1.624485 2.081411 -1.453815
H -4.132263 2.139296 -1.324916
H -5.368825 0.373673 -0.048307
H -3.996814 -1.788925 2.404570
H -5.403144 -1.606913 1.320359
H -4.108478 -2.771461 0.925432


