%chk=000214460.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214460

0 1
S -3.366728 -0.285716 0.904058
O -4.340618 -1.358674 0.926883
O -3.110520 0.530620 2.071531
O 3.954648 -3.295125 -0.800610
N -3.835513 0.788992 -0.359352
N 1.776155 -2.746061 -0.829181
N 2.972848 -0.299909 0.607759
C 0.569674 -0.797799 0.148997
C -1.852083 -0.967517 0.382661
C 0.590703 -2.094419 -0.413697
C -0.665765 -0.269009 0.568822
C 1.775131 0.059765 0.278533
C -1.828183 -2.238897 -0.209510
C -0.625020 -2.799673 -0.611173
C 1.564931 1.511213 -0.010264
C 3.297216 -1.696670 0.898580
C 3.091104 -2.617147 -0.290770
C -3.016379 2.013869 -0.499971
C -4.199378 0.147937 -1.642773
C 1.016941 1.897762 -1.243440
C 1.919302 2.479053 0.939681
C 0.815717 3.252298 -1.516903
C 1.709230 3.832934 0.659831
C 1.157328 4.219937 -0.564938
H -0.680589 0.717717 1.055138
H -2.764829 -2.797891 -0.340713
H -0.613725 -3.793896 -1.056772
H 1.673953 -3.476803 -1.549888
H 2.752661 -2.089627 1.790545
H 4.389437 -1.713672 1.167691
H -2.878280 2.479558 0.496410
H -3.561398 2.753084 -1.114511
H -2.029305 1.852461 -0.962613
H -3.341515 -0.232571 -2.218848
H -4.740182 0.872917 -2.277758
H -4.905559 -0.683815 -1.448847
H 0.762347 1.144174 -1.987335
H 2.367248 2.175333 1.886934
H 0.399503 3.556845 -2.475972
H 1.982506 4.586627 1.397888
H 0.998484 5.275696 -0.781204


%chk=000214460-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214460

0 1
S -3.482809 -0.327903 0.866707
O -4.463300 -1.616880 1.012177
O -3.175045 0.719561 2.070043
O 4.105797 -3.298111 -0.593127
N -4.250204 0.718879 -0.512772
N 1.906542 -2.616176 -0.868967
N 3.004953 -0.315910 0.753709
C 0.618512 -0.731518 0.143025
C -1.803345 -0.998120 0.288791
C 0.682966 -2.031502 -0.461124
C -0.656696 -0.236370 0.532449
C 1.832523 0.127072 0.343284
C -1.766993 -2.257239 -0.340312
C -0.512326 -2.766003 -0.711006
C 1.721662 1.597480 0.076028
C 3.155636 -1.748485 1.088919
C 3.137062 -2.615413 -0.176251
C -3.435562 1.922991 -0.785873
C -4.594454 -0.112392 -1.687309
C 0.828958 2.116418 -0.900801
C 2.565721 2.497158 0.781821
C 0.776912 3.503368 -1.159814
C 2.506854 3.881850 0.528029
C 1.610701 4.391400 -0.442719
H -0.736507 0.729157 1.042492
H -2.686344 -2.833685 -0.483998
H -0.442023 -3.758596 -1.170304
H 1.871290 -3.294995 -1.637309
H 2.349864 -2.106658 1.767867
H 4.130940 -1.898684 1.573265
H -3.144761 2.385419 0.171923
H -4.080906 2.639225 -1.326103
H -2.529023 1.727847 -1.403598
H -3.724599 -0.369969 -2.333666
H -5.322435 0.459564 -2.290801
H -5.092400 -1.032692 -1.339657
H 0.196287 1.434727 -1.480098
H 3.262404 2.084938 1.517853
H 0.094012 3.890038 -1.924500
H 3.155939 4.565757 1.085587
H 1.565698 5.468353 -0.638957


