%chk=000241664.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241664

0 1
S 5.291612 0.806903 0.185967
S -5.291306 0.809132 -0.185079
O 3.836851 -2.043289 -1.117132
O -3.837597 -2.043160 1.114593
O 3.182361 2.398402 -0.107335
O -3.181428 2.399458 0.110090
N 2.307796 -0.351097 -0.712330
N -2.307914 -0.351058 0.711815
N 4.540926 2.876543 1.678245
N -4.539803 2.880224 -1.674930
C 1.159130 -1.127407 -0.353642
C -1.159545 -1.127380 0.352207
C -0.000070 -0.411034 -0.000292
C 1.164520 -2.532069 -0.355122
C -1.165478 -2.532039 0.352020
C -0.000611 -3.213997 -0.001955
C 3.571080 -0.860906 -1.051455
C -3.571388 -0.860799 1.050331
C 4.600428 0.210305 -1.365610
C -4.600330 0.210421 1.365776
C 4.163324 2.164654 0.567202
C -4.162479 2.166882 -0.564724
H 0.000140 0.676261 0.000352
H 2.067460 -3.085987 -0.627208
H -2.068634 -3.085928 0.623446
H -0.000822 -4.305806 -0.002605
H 2.188316 0.677395 -0.662826
H -2.188049 0.677445 0.663526
H 5.431029 -0.236833 -1.960370
H 4.190806 1.037737 -1.984667
H -5.431091 -0.237115 1.960013
H -4.190391 1.036961 1.985815
H 5.354668 2.656340 2.230976
H 3.968716 3.644702 2.005429
H -3.967302 3.648555 -2.001198
H -5.353627 2.660985 -2.227921


%chk=000241664-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241664

0 1
S 5.237884 1.055271 0.226445
S -5.237762 1.057531 -0.224446
O 3.953018 -2.150545 -1.158301
O -3.952019 -2.149048 1.156670
O 2.784433 2.274751 -0.179312
O -2.783581 2.277084 0.176855
N 2.314069 -0.508589 -0.702227
N -2.312241 -0.507721 0.701436
N 4.143802 3.200011 1.468544
N -4.148605 3.206152 -1.464148
C 1.178721 -1.293871 -0.357157
C -1.177495 -1.293427 0.355359
C 0.000877 -0.591084 -0.000463
C 1.183123 -2.715071 -0.360747
C -1.182965 -2.714628 0.357176
C -0.000177 -3.393948 -0.002210
C 3.583223 -0.941955 -1.050912
C -3.581625 -0.940586 1.049898
C 4.559771 0.208453 -1.336201
C -4.557330 0.210128 1.336910
C 3.862350 2.288258 0.483064
C -3.863603 2.291853 -0.482058
H 0.001294 0.507079 0.000240
H 2.091996 -3.251240 -0.636658
H -2.092240 -3.250455 0.632422
H -0.000589 -4.489769 -0.002895
H 2.209022 0.518629 -0.630537
H -2.206380 0.519520 0.631187
H 5.450618 -0.200693 -1.833246
H 4.104405 1.005921 -1.947080
H -5.447557 -0.198919 1.835143
H -4.100849 1.007276 1.947374
H 5.036905 3.208458 1.958958
H 3.427879 3.882939 1.716211
H -3.433821 3.890142 -1.712174
H -5.043255 3.215493 -1.951719


