%chk=000256161.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256161

0 1
S 2.480854 1.180338 0.713169
O -5.619096 -0.191724 -0.957406
O 5.147624 0.884559 -1.531789
N -2.426703 0.321406 0.820519
N -0.712891 1.848558 0.980803
N -1.047244 -1.734688 0.396336
N 1.347999 -1.236245 0.369090
C -4.199188 -0.420853 -0.713085
C -4.658935 0.745208 -1.543548
C -3.788646 -0.222952 0.739009
C 4.248993 -0.089811 -0.911258
C 5.638910 -0.480054 -1.343624
C 3.952549 0.140032 0.541693
C -1.242985 -0.395614 0.631453
C -0.173453 0.577050 0.743118
C -2.041943 1.685945 1.014592
C 1.141029 0.076352 0.599229
C 0.254579 -2.082423 0.279313
H -3.793953 -1.318738 -1.195632
H -4.702206 1.749835 -1.131307
H -4.599426 0.706369 -2.629969
H -3.826199 -1.207133 1.274682
H -4.504580 0.451933 1.265740
H 3.393776 -0.361853 -1.543321
H 6.449096 -0.568598 -0.625154
H 5.797582 -1.030504 -2.267921
H 4.778481 0.684655 1.050732
H 3.827414 -0.829815 1.072095
H -2.773169 2.466289 1.182131
H 0.483030 -3.144824 0.091010


%chk=000256161-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256161

0 1
S 2.583983 1.257849 0.868828
O -5.623841 -0.556282 -0.955903
O 5.097485 0.889753 -1.574287
N -2.399644 0.427956 0.829058
N -0.682631 1.927107 1.154503
N -1.077054 -1.588184 0.261509
N 1.333458 -1.142797 0.300511
C -4.139457 -0.442047 -0.720393
C -4.828375 0.569334 -1.581373
C -3.762769 -0.123717 0.722506
C 4.283669 -0.190233 -0.897027
C 5.681752 -0.483828 -1.357437
C 3.988475 0.015529 0.567120
C -1.216445 -0.277025 0.602384
C -0.160312 0.667398 0.810529
C -2.014411 1.740754 1.151640
C 1.158037 0.167856 0.639429
C 0.232904 -1.945264 0.133768
H -3.545547 -1.232645 -1.195203
H -5.048970 1.565255 -1.175595
H -4.724101 0.509664 -2.670666
H -3.819793 -1.046135 1.326975
H -4.473502 0.609444 1.140965
H 3.446943 -0.556533 -1.502775
H 6.493140 -0.525768 -0.618735
H 5.835334 -1.075955 -2.267876
H 4.852876 0.447267 1.097445
H 3.674368 -0.931831 1.034101
H -2.747512 2.511713 1.382304
H 0.433238 -2.985935 -0.135606


