%chk=000276698.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276698

0 1
S 2.402420 -3.745839 -0.125675
O 3.077846 2.039940 0.412552
N 1.011869 2.805074 -0.338687
N -0.285227 2.343511 -0.457562
C 1.020371 0.609608 0.490265
C 1.520880 -0.627819 -0.259279
C -0.344483 1.101631 -0.004270
C 2.862812 -1.115806 0.301459
C 1.905624 1.840637 0.220947
C -1.566846 0.297186 0.026274
C 3.435140 -2.282046 -0.488757
C -1.703485 -0.754241 0.949767
C -2.614332 0.576147 -0.870018
C -2.872613 -1.517595 0.969337
C -3.780189 -0.192569 -0.843040
C -3.911151 -1.240042 0.073941
H 0.988289 0.417807 1.590349
H 1.612910 -0.406266 -1.341891
H 0.755143 -1.430940 -0.190239
H 2.757004 -1.383773 1.373516
H 3.597313 -0.274491 0.290072
H 1.223477 3.746637 -0.650509
H 3.438985 -2.077080 -1.574783
H 4.481619 -2.480848 -0.189670
H -0.903737 -0.976714 1.654662
H -2.515353 1.396607 -1.583345
H -2.974791 -2.332565 1.685071
H -4.589031 0.026789 -1.539081
H -4.820521 -1.838911 0.091947
H 3.023056 -4.652431 -0.908955


%chk=000276698-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276698

0 1
S 2.412690 -3.825288 -0.213476
O 3.088854 2.098872 0.394330
N 0.992471 2.760519 -0.494118
N -0.332937 2.288581 -0.625916
C 1.009312 0.629406 0.433636
C 1.597544 -0.629859 -0.279340
C -0.358186 1.066561 -0.084541
C 2.911871 -1.109191 0.378041
C 1.870989 1.884222 0.152882
C -1.603149 0.289078 -0.017876
C 3.557617 -2.300749 -0.344830
C -1.687064 -0.884711 0.782375
C -2.755823 0.709388 -0.742967
C -2.890174 -1.618516 0.854262
C -3.953440 -0.025546 -0.668347
C -4.026944 -1.194685 0.129296
H 0.986487 0.438714 1.524707
H 1.776643 -0.391811 -1.346246
H 0.845611 -1.439250 -0.263066
H 2.724534 -1.378018 1.437431
H 3.636171 -0.272400 0.389109
H 1.216821 3.690913 -0.843201
H 3.716543 -2.078143 -1.413803
H 4.519894 -2.561760 0.124797
H -0.820580 -1.218028 1.364220
H -2.689336 1.613064 -1.356898
H -2.940533 -2.519093 1.475740
H -4.831631 0.307650 -1.232365
H -4.959573 -1.766859 0.183849
H 3.218317 -4.691460 -0.933286


