%chk=000227590.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227590

0 1
S 1.416483 0.534847 -0.068496
O 5.262985 -0.559299 -0.142620
O 1.206259 0.201800 -1.463380
O 1.896742 1.847340 0.301858
O -3.994100 2.286701 0.298564
O -4.659898 -2.050029 -1.164943
N 2.480103 -0.653526 0.612040
N -2.982759 -1.132794 0.216622
N -4.649720 0.232499 -0.578212
C -0.080686 0.203037 0.817489
C -1.276989 0.745587 0.044430
C -2.604310 0.251305 0.632474
C 3.064934 -1.618373 -0.362844
C 3.530120 -0.120565 1.526957
C 4.288877 -1.038079 -1.091803
C 4.737677 0.439008 0.755552
C -3.794696 1.114040 0.132228
C -4.147340 -1.117043 -0.602884
H -0.045938 0.650941 1.834267
H -0.192261 -0.884361 1.013306
H -1.270548 1.862437 0.064800
H -1.209094 0.471604 -1.035680
H -2.582798 0.285222 1.755361
H 2.290369 -1.933190 -1.098680
H 3.361950 -2.528835 0.208571
H 3.857426 -0.961537 2.182610
H 3.099373 0.660946 2.190429
H 4.857083 -1.812164 -1.638845
H 4.018068 -0.219111 -1.782696
H 4.482433 1.351737 0.184838
H 5.601946 0.639771 1.413624
H -2.243056 -1.801310 0.019905
H -5.533034 0.501293 -1.004942


%chk=000227590-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227590

0 1
S 1.452486 0.262582 -0.353391
O 5.502133 -0.304544 0.066593
O 1.450441 -0.211606 -1.918302
O 1.635610 1.836456 0.056549
O -3.724262 2.497312 0.509336
O -5.321525 -1.710413 -0.916570
N 2.676724 -0.858999 0.665920
N -3.291876 -1.028958 0.132714
N -4.817758 0.553542 -0.316426
C -0.213154 -0.329821 0.425717
C -1.335443 0.606600 -0.022573
C -2.686924 0.215828 0.631002
C 3.483166 -1.707961 -0.272881
C 3.533826 0.005189 1.545816
C 4.657821 -0.967162 -0.942375
C 4.705631 0.686368 0.810441
C -3.782386 1.266940 0.290267
C -4.556073 -0.852364 -0.424672
H -0.014173 -0.306780 1.509062
H -0.295188 -1.365403 0.058902
H -1.104983 1.646176 0.277109
H -1.440943 0.582964 -1.122701
H -2.569455 0.194598 1.733941
H 2.809816 -2.132162 -1.038172
H 3.866985 -2.534319 0.356693
H 3.922625 -0.682273 2.322343
H 2.897300 0.763031 2.035419
H 5.320411 -1.676591 -1.464695
H 4.272542 -0.223426 -1.672069
H 4.318815 1.466952 0.122315
H 5.402272 1.147626 1.529486
H -2.887019 -1.958661 0.220344
H -5.681838 0.969179 -0.665244


