%chk=000257515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257515

0 1
S -0.000181 2.642442 -0.001517
O 0.039498 3.355068 -1.265786
O -0.040157 3.356363 1.262014
O -4.693014 -0.918993 -0.126928
O 4.694092 -0.916961 0.127616
O -4.544175 -1.077102 2.228327
O 4.545333 -1.077549 -2.227502
O -2.914402 -0.162763 3.320376
O 2.914802 -0.165564 -3.320388
O -5.700683 -3.176250 -2.534470
O 5.702616 -3.171150 2.537765
O -3.676454 -2.208310 -2.649118
O 3.677919 -2.204025 2.651038
N -3.534756 -0.401110 2.296087
N 3.535480 -0.402275 -2.295915
C -1.369544 1.573307 -0.060240
C 1.369618 1.573928 0.058319
C -1.890070 1.029251 1.105723
C 1.890304 1.028779 -1.107064
C -1.973831 1.298808 -1.301237
C 1.974071 1.301043 1.299593
C -3.010312 0.177758 1.053052
C 3.010880 0.177784 -1.053499
C -3.607571 -0.096076 -0.206838
C 3.608312 -0.094407 0.206666
C -3.083831 0.468433 -1.383705
C 3.084401 0.471195 1.382932
C -5.483158 -1.194275 -1.304210
C 5.484326 -1.190703 1.305192
C -4.797155 -2.201783 -2.208123
C 4.798674 -2.197478 2.210184
H -1.449944 1.255577 2.092328
H 1.450045 1.253841 -2.093898
H -1.565739 1.753619 -2.217094
H 1.565843 1.756717 2.214962
H -3.509408 0.224930 -2.357894
H 3.510122 0.228945 2.357368
H -6.403525 -1.620710 -0.831507
H -5.739369 -0.267299 -1.850995
H 6.404848 -1.617320 0.832952
H 5.740212 -0.263050 1.850982
H -5.320175 -3.875678 -3.139569
H 5.322357 -3.870056 3.143622


%chk=000257515-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257515

0 1
S -0.000253 2.697823 -0.001694
O 0.020612 3.459945 -1.449280
O -0.021479 3.461624 1.445000
O -4.901052 -0.894899 -0.016415
O 4.902165 -0.892698 0.017285
O -5.105477 -0.124723 2.557714
O 5.106277 -0.125975 -2.557589
O -3.015746 -0.065148 3.472991
O 3.016604 -0.067897 -3.473116
O -5.366679 -3.046822 -2.959462
O 5.368413 -3.041529 2.962514
O -3.557836 -2.948495 -1.486465
O 3.559876 -2.945721 1.488977
N -3.831744 0.026732 2.472666
N 3.832533 0.025596 -2.472885
C -1.506614 1.554984 -0.028406
C 1.506634 1.555709 0.026360
C -2.078134 1.180723 1.189568
C 2.078363 1.180300 -1.191164
C -2.040644 1.179099 -1.271389
C 2.040802 1.181510 1.269788
C -3.234771 0.376941 1.159995
C 3.235369 0.377077 -1.160632
C -3.791737 -0.066781 -0.079539
C 3.792468 -0.065005 0.079430
C -3.179925 0.355022 -1.290299
C 3.180449 0.357961 1.289682
C -5.497068 -1.408194 -1.242042
C 5.498263 -1.404521 1.243495
C -4.666346 -2.533498 -1.865869
C 4.668071 -2.529731 1.868211
H -1.669150 1.517107 2.147455
H 1.669268 1.515403 -2.149452
H -1.581904 1.535789 -2.199482
H 1.581890 1.539087 2.197455
H -3.578135 0.032753 -2.255428
H 3.578775 0.037016 2.255201
H -6.472426 -1.814110 -0.930530
H -5.680772 -0.611646 -1.987997
H 6.473896 -1.810180 0.932519
H 5.681402 -0.607183 1.988743
H -4.859573 -3.795983 -3.374995
H 4.861636 -3.790559 3.378683


