%chk=000114263.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000114263

1 1
S 2.369084 2.741349 0.283666
S -5.621236 -0.957569 0.346072
O 4.982073 -1.810490 -0.048122
O -6.308213 -0.351302 1.754439
O -5.993231 -2.337164 0.277454
O -5.938419 -0.042695 -0.712415
N 0.416883 1.300384 -0.571100
C -0.925426 0.836794 -1.019908
C -1.714554 0.237068 0.152804
C 1.529866 0.410638 -0.467960
C -3.118865 -0.174380 -0.314225
C 0.705480 2.564347 -0.198899
C 2.695821 1.056689 -0.010053
C -3.937500 -0.765417 0.828388
C 1.549263 -0.972938 -0.775761
C 2.726758 -1.677304 -0.622800
C 3.901044 0.377787 0.158441
C 3.912084 -0.984584 -0.148697
C -0.208449 3.708412 -0.191557
C 2.827600 -3.124910 -0.937256
C 6.248502 -1.263134 0.418544
H -0.793859 0.086258 -1.838641
H -1.482080 1.689734 -1.479209
H -1.181203 -0.639600 0.575871
H -1.792869 0.965452 0.985815
H -3.649243 0.708674 -0.745465
H -3.041720 -0.909157 -1.144924
H -3.872976 -0.124617 1.738641
H -3.506244 -1.733577 1.166018
H 0.646306 -1.473195 -1.130546
H 4.792449 0.892890 0.513344
H 0.208232 4.601242 0.316666
H -0.468427 4.049471 -1.215667
H -1.167496 3.498756 0.322101
H 3.397178 -3.673360 -0.164296
H 1.854435 -3.624656 -1.035761
H 3.375381 -3.290568 -1.882816
H -7.251277 -0.523584 1.908490
H 6.890246 -2.158686 0.386283
H 6.149918 -0.892521 1.442791
H 6.612982 -0.499934 -0.275050


%chk=000114263-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114263

1 1
S 2.522878 2.849734 0.178373
S -5.650018 -1.081187 0.268978
O 4.955804 -1.920936 -0.033019
O -6.345307 -1.275098 1.972755
O -5.556654 -2.509439 -0.482594
O -6.308484 0.187302 -0.488510
N 0.486467 1.400834 -0.588616
C -0.896505 0.981622 -0.970764
C -1.691903 0.414869 0.229715
C 1.545541 0.458791 -0.473455
C -3.094999 -0.043870 -0.238803
C 0.812286 2.681256 -0.287532
C 2.759379 1.064760 -0.063576
C -3.919459 -0.574218 0.937316
C 1.497899 -0.933450 -0.731224
C 2.656231 -1.709865 -0.577149
C 3.940802 0.326828 0.106116
C 3.878802 -1.064938 -0.153596
C -0.112606 3.853505 -0.343316
C 2.662071 -3.195600 -0.843050
C 6.262382 -1.379288 0.389560
H -0.803568 0.231025 -1.774512
H -1.415329 1.854449 -1.399116
H -1.143626 -0.433362 0.680600
H -1.787967 1.191815 1.012643
H -3.635074 0.801920 -0.707050
H -2.994041 -0.834921 -1.007738
H -4.154228 0.181361 1.702717
H -3.538328 -1.501550 1.391677
H 0.572547 -1.419967 -1.053166
H 4.868953 0.807551 0.422201
H 0.379804 4.757016 0.048111
H -0.424491 4.071807 -1.382743
H -1.025056 3.684016 0.256729
H 2.975966 -3.755390 0.056160
H 1.668864 -3.556230 -1.155455
H 3.394018 -3.450632 -1.630316
H -7.281988 -1.620597 1.908579
H 6.933903 -2.247785 0.403633
H 6.194125 -0.939809 1.401590
H 6.629205 -0.631728 -0.337456


