%chk=000260831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260831

0 1
S -4.778854 0.213283 1.298795
O 3.254682 2.473872 -1.172873
O -5.846458 0.263021 -0.012510
O -5.160812 -0.940120 2.070607
O -4.881609 1.537737 1.862855
N 0.326153 -0.682369 -1.578316
N 1.958455 -2.122367 -0.364667
N 3.769093 -1.053921 0.803890
N 4.450746 1.224408 0.337257
N 5.771931 -0.143797 1.771071
C 1.331693 0.415461 -1.730527
C 1.002819 -2.006315 -1.514331
C 2.492805 0.247452 -0.791291
C 2.719012 -0.931843 -0.138419
C -0.846081 -0.466044 -0.818127
C 3.385710 1.412293 -0.610930
C -1.296306 0.849479 -0.539892
C -1.646819 -1.565114 -0.413530
C -3.298928 -0.040056 0.501019
C -2.507704 1.050685 0.104725
C -2.857972 -1.342934 0.229041
C 4.642171 0.079497 0.951075
H 0.857157 1.417661 -1.578937
H 1.691834 0.402627 -2.788729
H 1.597689 -2.131218 -2.457917
H 0.261919 -2.840075 -1.460846
H 1.538528 -2.518628 0.483821
H 4.043889 -1.978646 1.137603
H -0.690415 1.709445 -0.836754
H -1.335802 -2.585713 -0.626772
H -2.844568 2.074100 0.316858
H -3.471545 -2.200388 0.535302
H 6.364789 0.681966 1.890366
H 5.614655 -0.624780 2.648798
H -6.662658 0.763038 0.122384


%chk=000260831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260831

0 1
S -5.573398 0.258103 0.545357
O 3.376906 2.496414 -1.023422
O -6.134849 0.065552 -1.225488
O -6.168689 -0.984326 1.398406
O -5.878855 1.784328 0.994053
N 0.366372 -0.539218 -0.385236
N 2.223385 -2.064722 0.092009
N 4.444063 -1.199594 0.378383
N 5.043659 1.069322 -0.171346
N 6.661684 -0.410536 0.651481
C 1.249995 0.625684 -0.631481
C 0.999131 -1.840474 -0.694862
C 2.707121 0.279312 -0.400002
C 3.101156 -0.963264 0.043834
C -1.009133 -0.372750 -0.194750
C 3.708774 1.355184 -0.575807
C -1.602294 0.929211 -0.308492
C -1.865705 -1.472243 0.144377
C -3.769218 0.012743 0.240785
C -2.975783 1.123640 -0.092448
C -3.239479 -1.285151 0.356472
C 5.360452 -0.136756 0.274826
H 0.983780 1.438581 0.070063
H 1.121311 1.043971 -1.653365
H 1.294119 -1.851526 -1.763104
H 0.301909 -2.669133 -0.522648
H 2.103112 -2.531026 0.997932
H 4.757744 -2.168343 0.469156
H -0.995147 1.792250 -0.590082
H -1.467192 -2.482963 0.266257
H -3.420119 2.120339 -0.176251
H -3.886798 -2.123506 0.632443
H 7.326564 0.352748 0.544790
H 6.927690 -1.238695 1.177887
H -7.123071 0.228539 -1.239628


