%chk=000189416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189416

0 1
S -0.645845 -4.229899 -0.263948
N -0.040802 0.250850 0.253171
C 2.368463 -0.053591 0.307092
C 1.003137 -0.627573 0.196545
C -1.308119 -0.240008 0.169027
C -2.413924 0.746541 0.247818
C 2.715727 1.082405 -0.433783
C 0.812391 -2.013661 0.036762
C 4.012609 1.613911 -0.340834
C -0.497967 -2.493097 -0.059445
C -1.578304 -1.616901 0.008163
C 3.310484 -0.658664 1.155829
C 4.952760 1.002636 0.501757
C 4.597061 -0.125290 1.247697
C -3.525260 0.489512 1.066908
C -2.350924 1.937322 -0.492700
C 4.372384 2.827013 -1.135842
C -4.570989 1.413435 1.130930
C -3.402915 2.854895 -0.426583
C -4.513489 2.593776 0.382034
C -2.409875 -4.570760 -0.400370
H 1.971413 1.559662 -1.071651
H 1.671460 -2.681207 -0.020569
H -2.606810 -1.956911 -0.069726
H 3.036469 -1.530114 1.747040
H 5.959479 1.406994 0.580806
H 5.329436 -0.589989 1.906590
H -3.566820 -0.421454 1.661940
H -1.474732 2.145656 -1.108416
H 3.765513 3.692467 -0.830483
H 5.424903 3.115159 -1.020701
H 4.195951 2.669689 -2.209406
H -5.430859 1.215365 1.768443
H -3.353527 3.777286 -1.002987
H -5.330944 3.310806 0.432803
H -2.519987 -5.655233 -0.550113
H -2.867139 -4.065219 -1.259227
H -2.958711 -4.299205 0.508732


%chk=000189416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189416

0 1
S -0.713688 -4.419020 0.621596
N 0.004787 0.132633 -0.023463
C 2.423469 -0.184407 -0.000268
C 1.045590 -0.754566 0.090607
C -1.280229 -0.329430 0.054126
C -2.363660 0.691687 -0.076868
C 2.610280 1.212139 0.163824
C 0.822231 -2.138330 0.305877
C 3.893682 1.805870 0.095123
C -0.506719 -2.621510 0.367705
C -1.575076 -1.709572 0.231537
C 3.560204 -1.000815 -0.251371
C 5.012908 0.970060 -0.149063
C 4.843455 -0.423142 -0.324138
C -3.696742 0.437901 0.346260
C -2.059912 1.963320 -0.634868
C 4.059535 3.304795 0.282186
C -4.698081 1.422560 0.206314
C -3.060548 2.946096 -0.777205
C -4.386287 2.680544 -0.359554
C -2.579152 -4.613254 0.695804
H 1.721596 1.825539 0.347495
H 1.662329 -2.824755 0.441766
H -2.612606 -2.049112 0.238899
H 3.449109 -2.077811 -0.416494
H 6.015902 1.409832 -0.206752
H 5.714466 -1.056970 -0.525265
H -3.956924 -0.518175 0.814034
H -1.029004 2.152124 -0.948382
H 3.698360 3.626313 1.277027
H 5.116116 3.610781 0.191504
H 3.478040 3.868817 -0.470929
H -5.718529 1.212157 0.545821
H -2.809256 3.918636 -1.215281
H -5.164498 3.444212 -0.468777
H -2.750285 -5.686528 0.870397
H -3.041640 -4.318810 -0.258957
H -2.997527 -4.033204 1.533035


