%chk=000080629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000080629

0 1
S -4.009055 -1.069513 0.072682
O -1.341966 3.192809 0.018079
O -4.232881 -1.294041 -1.586098
O -3.874031 -2.380513 0.641511
O -5.104662 -0.211616 0.442169
O 5.156337 0.563984 -0.008213
N 3.582332 -1.123627 0.030797
C -0.052271 -0.296227 0.047190
C -0.019642 1.122538 0.027981
C -2.485516 -0.249584 0.063444
C -1.318346 -0.971413 0.065272
C -1.273575 1.823383 0.031540
C 1.171477 -1.024534 0.048102
C 2.384383 -0.350403 0.028770
C 1.243764 1.788621 0.007657
C -2.489824 1.164806 0.050557
C 2.416782 1.083770 0.007741
C 4.912508 -0.623104 0.012497
C 5.956636 -1.700931 0.021014
H -1.325618 -2.066294 0.086534
H 1.124362 -2.111743 0.064142
H 1.257202 2.881409 -0.008166
H -3.424141 1.733523 0.063214
H 3.386262 1.600341 -0.008061
H 3.449822 -2.138866 0.047368
H -0.441961 3.614218 0.007248
H -5.142351 -1.199926 -1.906910
H 5.905780 -2.336443 0.916002
H 6.963289 -1.245284 0.014355
H 5.901505 -2.352640 -0.862117


%chk=000080629-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080629

0 1
S -4.077444 -1.130464 0.082438
O -1.362028 3.283196 0.002460
O -4.344570 -1.127813 -1.757045
O -3.834929 -2.654072 0.570348
O -5.238900 -0.228229 0.756515
O 5.295483 0.572982 0.006077
N 3.621076 -1.077477 0.038699
C -0.038365 -0.270163 0.036154
C -0.023999 1.179575 0.012301
C -2.448136 -0.209224 0.042016
C -1.289111 -0.969778 0.047066
C -1.282560 1.889074 0.014265
C 1.199833 -0.979912 0.044130
C 2.430380 -0.304159 0.029076
C 1.246856 1.838024 -0.003364
C -2.501401 1.202798 0.026113
C 2.448756 1.133210 0.004193
C 4.956333 -0.644035 0.027302
C 5.968189 -1.788173 0.041002
H -1.330774 -2.062910 0.073525
H 1.169927 -2.076962 0.062383
H 1.313336 2.934167 -0.024065
H -3.447870 1.748437 0.041436
H 3.411129 1.646952 -0.008763
H 3.483437 -2.091346 0.056360
H -0.469830 3.708895 0.008858
H -5.265076 -1.485743 -1.924009
H 5.840943 -2.429052 0.933096
H 6.980422 -1.360274 0.055103
H 5.865497 -2.424823 -0.857368


