%chk=000263018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263018

0 1
S -4.642043 -0.189952 0.842317
O 2.184137 0.120899 1.370401
O 2.965423 2.489065 -0.684835
O 2.479616 -0.638859 -2.079752
O 3.692657 -2.483313 1.803300
N 0.116141 1.108751 0.835604
N -1.997795 1.276613 1.743137
N -0.397385 -0.574284 -0.961120
C 2.102202 1.349861 -0.694748
C 1.582414 1.265871 0.764344
C 2.915975 0.043897 -0.923875
C 2.705786 -0.797888 0.358778
C 3.992659 -1.365992 0.964334
C -0.708644 0.233841 0.099808
C -0.733400 1.690589 1.838616
C -2.031866 0.362442 0.671354
C -3.077454 -0.392866 0.110128
C -2.765500 -1.219218 -0.964333
C -1.439164 -1.278722 -1.459515
C -5.741067 -1.276575 -0.083668
H 1.305696 1.480985 -1.458150
H 1.901699 2.134944 1.394497
H 3.985298 0.265020 -1.141030
H 1.935935 -1.590310 0.216696
H 4.539980 -0.599398 1.544580
H 4.651133 -1.806367 0.188775
H 3.204050 2.740764 -1.604703
H 1.518400 -0.898840 -2.000671
H -0.346362 2.396759 2.563432
H 3.141370 -2.192638 2.564643
H -3.524633 -1.833090 -1.443790
H -1.203769 -1.934156 -2.309020
H -5.451747 -2.331116 -0.008229
H -5.813546 -0.999970 -1.141652
H -6.743996 -1.173545 0.358250


%chk=000263018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000263018

0 1
S -4.891352 0.029119 0.778686
O 2.024892 -0.511282 1.243675
O 3.195937 2.153824 -0.207941
O 1.881108 -0.859698 -1.985491
O 4.527833 -1.497809 2.137611
N 0.060957 0.807124 0.888675
N -2.035458 1.220595 1.743377
N -0.563293 -0.769531 -0.926468
C 2.166225 1.151728 -0.528210
C 1.528704 0.813566 0.847344
C 2.763646 -0.194374 -1.057455
C 3.032656 -1.001147 0.237397
C 4.430087 -0.811293 0.846668
C -0.834713 0.050351 0.118735
C -0.723316 1.471530 1.849983
C -2.131032 0.321914 0.662797
C -3.257755 -0.315808 0.082501
C -2.985620 -1.181383 -1.009406
C -1.659685 -1.373336 -1.472132
C -5.993571 -1.053215 -0.293460
H 1.432412 1.551002 -1.253875
H 1.860328 1.572666 1.579369
H 3.702416 -0.006924 -1.611211
H 2.811913 -2.071797 0.093481
H 4.655012 0.270982 0.949301
H 5.192482 -1.282196 0.201884
H 3.662430 2.418092 -1.040221
H 0.928351 -0.909043 -1.581358
H -0.272218 2.125297 2.594390
H 3.727963 -1.232494 2.663454
H -3.788160 -1.717882 -1.520670
H -1.465699 -2.038655 -2.318811
H -5.719384 -2.114200 -0.188384
H -5.950891 -0.735054 -1.346490
H -7.011004 -0.897468 0.096161


