%chk=000257365.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257365

0 1
S 5.237497 -0.542441 -0.115701
O 5.939164 0.286187 1.181391
O 5.575164 -1.921186 0.149688
O 5.723366 0.107245 -1.304252
N -0.477007 0.572710 0.894067
N -1.361921 1.036500 -1.314493
C -2.787467 1.260231 0.694257
C -3.894122 0.401559 0.147054
C -1.444845 0.912998 0.084372
C 0.867064 0.308893 0.563677
C 3.586838 -0.217245 0.143607
C 3.003179 0.937542 -0.395700
C 2.806840 -1.103105 0.905990
C 1.651815 1.203220 -0.200271
C 1.457431 -0.853362 1.115108
C -4.886006 0.959938 -0.671231
C -3.933669 -0.965956 0.460304
C -5.912660 0.152630 -1.170845
C -4.960634 -1.766893 -0.043834
C -5.951183 -1.209829 -0.860348
H -2.986702 2.344036 0.538745
H -2.735574 1.145268 1.806494
H 3.612212 1.633449 -0.986072
H 3.265172 -2.004639 1.331391
H 1.208292 2.112060 -0.602748
H 0.848928 -1.530600 1.714301
H -4.868107 2.021108 -0.912160
H -3.164627 -1.399642 1.099964
H -6.685837 0.589054 -1.802243
H -4.991342 -2.828039 0.201992
H -6.751925 -1.836138 -1.250056
H -0.564115 0.646746 -1.797450
H -2.215355 1.020283 -1.856099
H 6.794935 -0.045581 1.484004


%chk=000257365-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257365

0 1
S 5.433817 -0.379576 -0.248814
O 6.136867 0.704239 1.095710
O 5.872184 -1.907644 0.062801
O 5.788388 0.297826 -1.677174
N -0.406725 0.448244 1.131706
N -1.377196 0.281708 -1.060101
C -2.782213 0.964107 0.862513
C -3.988796 0.338301 0.173827
C -1.423053 0.533876 0.299762
C 0.929641 0.246548 0.745724
C 3.645823 -0.116782 0.164352
C 2.967357 0.943902 -0.461620
C 3.035212 -0.992120 1.082326
C 1.601090 1.116329 -0.173171
C 1.673134 -0.800702 1.371115
C -4.764532 1.080431 -0.753696
C -4.348058 -1.010460 0.435459
C -5.873838 0.491754 -1.405835
C -5.454538 -1.601037 -0.212907
C -6.220781 -0.851626 -1.137627
H -2.834956 2.067460 0.785086
H -2.757060 0.722740 1.937799
H 3.491134 1.600748 -1.163385
H 3.608467 -1.802684 1.542937
H 1.051260 1.947662 -0.627512
H 1.160242 -1.446034 2.090018
H -4.509481 2.128863 -0.954111
H -3.758967 -1.594611 1.153070
H -6.466737 1.081636 -2.113649
H -5.722531 -2.641177 0.003571
H -7.081192 -1.309014 -1.638300
H -0.509709 -0.011673 -1.508159
H -2.244158 0.245376 -1.595174
H 7.134704 0.650393 1.026365


