%chk=000051395.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051395

0 1
 S    4.792700      -1.054100     -2.0000001E-03
 O   0.2998000      -1.313400     -1.9999999E-04
 N  -0.8188000      0.7448000      1.0000000E-03
 N    1.489700      0.7012000      1.5000000E-03
 N    3.114900      -1.031300     -1.2000001E-03
 N    5.116500      0.5923000     -3.0000001E-04
 C   -2.163900      0.3739000      6.0000003E-04
 C   -3.157200       1.353300     -1.4000000E-03
 C   -2.515400     -0.9760000      1.7000000E-03
 C   0.3280000     -8.6800002E-02  1.2000001E-03
 C   -4.502000      0.9827000     -2.0999999E-03
 C   -3.860300      -1.346400      8.9999998E-04
 C   -4.853500     -0.3669000     -1.0000000E-03
 C    2.818700      0.2616000      3.0000001E-04
 C    3.910800       1.165200      7.9999998E-04
 H  -0.6415000       1.746200      6.9999998E-04
 H   -2.897900       2.409000     -2.4000001E-03
 H   -1.808000      -1.792800      3.5999999E-03
 H    1.370700       1.710800      2.7000001E-03
 H   -5.275500       1.745200     -3.5000001E-03
 H   -4.135600      -2.397200      1.8000000E-03
 H   -5.900500     -0.6553000     -1.5000000E-03
 H    3.867600       2.245800      1.9000000E-03


%chk=000051395-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051395

0 1
S 4.976883 -1.109477 -0.001123
O 0.334159 -1.324508 0.001319
N -0.813260 0.741458 0.000296
N 1.519699 0.718928 0.001020
N 3.176460 -1.063525 -0.000700
N 5.188127 0.679563 0.000219
C -2.175516 0.318153 0.000051
C -3.165840 1.338015 -0.001221
C -2.569476 -1.046213 0.001033
C 0.331434 -0.070461 0.001285
C -4.534258 1.001681 -0.001498
C -3.945006 -1.364589 0.000743
C -4.934158 -0.354929 -0.000514
C 2.838116 0.243147 0.000409
C 3.955555 1.197658 0.000898
H -0.688321 1.756190 -0.000718
H -2.865211 2.394745 -0.001992
H -1.809433 -1.829006 0.001951
H 1.430354 1.736671 0.001573
H -5.285703 1.798826 -0.002486
H -4.242400 -2.419163 0.001501
H -5.996962 -0.618360 -0.000732
H 3.854054 2.286994 0.001786


