%chk=000114285.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114285

0 1
S -2.119578 1.628969 -0.000122
O 3.056229 0.568167 0.000216
N -2.284252 -0.987501 0.000155
C -0.902357 -0.653215 0.000174
C -0.618233 0.733980 0.000066
C 1.460885 -1.138053 0.000224
C 1.710327 0.274200 0.000178
C 0.148793 -1.591576 0.000232
C 0.685557 1.221847 0.000082
C -3.047849 0.065862 -0.000005
C 2.618082 -2.077395 0.000285
C -4.514487 0.133565 -0.000125
C 3.441896 1.964470 0.000256
H -0.085591 -2.656775 0.000275
H 0.881134 2.288721 0.000049
H 2.314124 -3.130619 -0.000886
H 3.258482 -1.911016 -0.880653
H 3.257080 -1.912589 0.882533
H -4.903201 0.658017 0.888514
H -4.903083 0.655777 -0.890144
H -4.964871 -0.876897 0.001098
H 3.081808 2.459142 0.906861
H 3.081956 2.459152 -0.906403
H 4.537348 1.891865 0.000342


%chk=000114285-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114285

0 1
S -2.141011 1.732771 -0.000030
O 3.113054 0.578651 0.000298
N -2.296631 -0.960902 0.000041
C -0.922276 -0.640453 0.000092
C -0.616849 0.755325 0.000078
C 1.475457 -1.159442 0.000224
C 1.746287 0.250581 0.000218
C 0.135279 -1.582189 0.000159
C 0.713269 1.217369 0.000140
C -3.068620 0.100651 0.000007
C 2.627115 -2.142748 0.000330
C -4.567126 0.108453 -0.000142
C 3.472186 1.997951 0.000253
H -0.109026 -2.649014 0.000152
H 0.935158 2.287045 0.000122
H 2.258119 -3.182167 -0.000316
H 3.274610 -1.997428 -0.883615
H 3.273735 -1.998263 0.885065
H -4.968038 0.625461 0.890813
H -4.967826 0.623700 -0.892224
H -4.927856 -0.932396 0.000808
H 3.089654 2.509274 0.905131
H 3.089753 2.509193 -0.904714
H 4.571781 2.016674 0.000313


