%chk=000260868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260868

0 1
S -1.825383 0.741726 0.610783
O 3.785221 -0.831506 1.183502
O 0.533510 -4.191935 -1.499941
N 0.794372 -0.107540 0.776280
N -0.608899 -1.550893 -0.322006
N 3.413401 -2.674784 -0.094169
N 2.498529 -3.674211 -0.511748
C 1.551472 -1.206403 0.372086
C 1.320698 1.083499 1.474986
C -0.508342 -0.352930 0.326308
C -4.483467 0.656226 0.289896
C -5.769863 -0.080198 -0.118335
C 0.663148 -2.085705 -0.295488
C -3.273555 -0.245099 0.094779
C -7.005788 0.810536 0.069275
C 1.813526 2.115518 0.488730
C 2.964997 -1.503649 0.581764
C 1.133726 -3.357164 -0.863869
C -8.286541 0.084398 -0.334665
C 0.951205 3.113595 0.015264
C 3.146991 2.074659 0.056095
C 1.425594 4.069701 -0.887617
C 3.614709 3.033343 -0.845775
C 2.755644 4.031346 -1.318206
H 2.161298 0.756098 2.145463
H 0.527612 1.501279 2.140963
H -4.566071 0.983236 1.347318
H -4.384420 1.584336 -0.311101
H -5.881749 -1.007571 0.476683
H -5.700410 -0.408089 -1.174119
H -3.152748 -0.567836 -0.959953
H -3.335358 -1.172440 0.697453
H -7.079433 1.137646 1.125132
H -6.898027 1.737176 -0.528315
H 4.296919 -3.083371 0.256563
H 2.955844 -4.366641 -1.131629
H -8.264337 -0.220959 -1.387294
H -8.445953 -0.819777 0.264221
H -9.164932 0.725646 -0.198858
H -0.087625 3.147326 0.341761
H 3.818421 1.291160 0.423359
H 0.755511 4.844314 -1.257514
H 4.650443 3.001178 -1.181503
H 3.122111 4.777161 -2.021857


%chk=000260868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260868

0 1
S -1.759859 0.931896 0.647803
O 3.838533 -0.907646 1.187392
O 0.212015 -4.220022 -1.426411
N 0.855689 -0.089733 0.744354
N -0.658000 -1.466846 -0.289091
N 3.245462 -2.845497 0.045624
N 2.312924 -3.688961 -0.601983
C 1.547855 -1.239624 0.352183
C 1.420015 1.108895 1.432445
C -0.469007 -0.278388 0.331496
C -4.540533 0.707007 0.283462
C -5.789222 -0.108849 -0.135156
C 0.595720 -2.070925 -0.277394
C -3.257410 -0.109960 0.081118
C -7.106395 0.678561 0.053666
C 1.931986 2.181077 0.473355
C 2.943729 -1.588574 0.580742
C 0.948102 -3.389161 -0.822802
C -8.352603 -0.141386 -0.344428
C 1.087311 3.236708 0.046361
C 3.272647 2.133386 0.011563
C 1.570965 4.225212 -0.840000
C 3.754715 3.122578 -0.874083
C 2.905593 4.169224 -1.303769
H 2.241643 0.741418 2.067863
H 0.615425 1.506780 2.076928
H -4.639131 1.005442 1.346118
H -4.495176 1.639858 -0.312849
H -5.834520 -1.045174 0.458161
H -5.693936 -0.414967 -1.197031
H -3.076360 -0.369968 -0.973145
H -3.241262 -1.034549 0.679441
H -7.193304 0.995409 1.112921
H -7.065715 1.608976 -0.548421
H 4.188488 -3.214501 0.187686
H 2.672410 -4.570506 -0.975146
H -8.302906 -0.449500 -1.405744
H -8.435291 -1.059213 0.267511
H -9.280848 0.442372 -0.205259
H 0.051852 3.284789 0.403805
H 3.925784 1.321940 0.353448
H 0.910793 5.037198 -1.164714
H 4.792251 3.080372 -1.224117
H 3.281571 4.937257 -1.989200


