%chk=000128488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000128488

0 1
S -0.790461 0.554465 -1.975192
O -4.970436 0.143078 -0.154959
O -3.935857 0.987498 1.639273
O 0.585024 -1.596655 0.224601
N -2.748987 -2.181804 0.346264
N 5.404978 2.411841 1.333027
N 5.783889 3.545239 0.943399
N 6.291207 4.541263 0.756538
C -2.566470 -1.243717 -0.865769
C -1.893608 0.103386 -0.574198
C -4.206390 -2.575440 0.439777
C -2.330263 -1.584104 1.667584
C -1.907967 -3.424089 0.121531
C -2.885037 1.249233 -0.497911
C 0.544141 -0.670672 -1.941186
C -4.072615 0.795537 0.422283
C 1.075174 -0.775724 -0.537674
C 2.186973 0.104536 -0.111076
C 2.450808 1.339315 -0.720737
C 2.983240 -0.318939 0.975068
C 3.502999 2.140270 -0.274923
C 4.039942 0.458297 1.428021
C 4.299121 1.695575 0.796793
H -3.599516 -1.016640 -1.287072
H -2.038199 -1.800474 -1.666717
H -1.273375 0.069962 0.356789
H -4.858136 -1.637981 0.489940
H -4.545418 -3.131957 -0.444057
H -4.424516 -3.161257 1.341876
H -2.457362 -2.295157 2.495982
H -1.271575 -1.258148 1.648494
H -2.953213 -0.677629 1.935355
H -0.827584 -3.150713 0.068465
H -2.021058 -4.143976 0.948325
H -2.181621 -3.940222 -0.811053
H -3.309521 1.533999 -1.477503
H -2.433721 2.160335 -0.067505
H 1.307127 -0.340583 -2.675488
H 0.186546 -1.655156 -2.302017
H 1.824287 1.698104 -1.543101
H 2.754292 -1.273221 1.461517
H 3.685279 3.097549 -0.757073
H 4.662879 0.132874 2.263610


%chk=000128488-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128488

0 1
S -0.750221 0.642144 -1.957211
O -5.000986 0.210764 0.202569
O -3.722511 1.128043 1.935474
O 0.740155 -1.696816 0.302191
N -2.838064 -2.258961 0.270192
N 5.393288 2.633269 1.384339
N 5.855388 3.632748 0.754414
N 6.422680 4.589672 0.345766
C -2.659686 -1.185243 -0.882035
C -1.931979 0.137278 -0.526776
C -4.316368 -2.665214 0.307316
C -2.433713 -1.775996 1.668927
C -1.981876 -3.478131 -0.058909
C -2.912758 1.324502 -0.356043
C 0.597635 -0.720769 -1.890250
C -3.998376 0.891499 0.694210
C 1.203651 -0.815337 -0.503372
C 2.281071 0.116719 -0.074699
C 2.723551 1.207527 -0.874993
C 2.892667 -0.092647 1.195703
C 3.745396 2.061135 -0.428876
C 3.917407 0.747173 1.650751
C 4.348819 1.829992 0.838865
H -3.687340 -0.920661 -1.188426
H -2.142950 -1.723149 -1.691167
H -1.299942 0.049415 0.369748
H -4.908206 -1.748921 0.507878
H -4.587503 -3.083687 -0.675809
H -4.448744 -3.426719 1.093240
H -2.719867 -2.571406 2.376957
H -1.342573 -1.637636 1.692890
H -2.958623 -0.839651 1.926312
H -0.926793 -3.160304 -0.090372
H -2.126718 -4.233994 0.729960
H -2.302379 -3.891427 -1.028409
H -3.403966 1.553594 -1.319184
H -2.361253 2.206504 0.008314
H 1.312225 -0.422262 -2.673326
H 0.141765 -1.687082 -2.157402
H 2.249814 1.414681 -1.839179
H 2.540774 -0.929267 1.806904
H 4.067484 2.904803 -1.049673
H 4.394625 0.591915 2.622492


