%chk=000274800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274800

0 1
S 4.865959 -1.483547 -0.380572
O 2.617466 0.462816 -1.459221
O 5.485336 1.044995 0.074568
N -1.191479 1.239978 0.366860
N -0.799288 2.537446 0.627018
N 0.473823 2.568569 0.848998
C -0.060789 0.399112 0.439144
C 1.003731 1.266439 0.744356
C -0.045636 -1.044011 0.211486
C -2.559170 0.903128 0.048449
C 2.440859 0.975624 0.918185
C -0.021963 -1.922962 1.306736
C -0.018408 -1.543224 -1.099346
C -3.103154 -0.316843 0.480013
C -3.328456 1.823172 -0.685763
C 3.111548 0.572936 -0.373758
C 0.018171 -3.301016 1.084217
C 0.021667 -2.924349 -1.310756
C -4.428202 -0.617980 0.155122
C -4.652162 1.504099 -0.993644
C 0.037861 -3.802194 -0.222446
C -5.202227 0.286170 -0.579148
C 4.614193 0.273780 -0.179632
H 2.580908 0.176125 1.685203
H 2.963809 1.876853 1.336668
H -0.033227 -1.529999 2.322471
H -0.012068 -0.853581 -1.945516
H -2.509340 -1.022736 1.060686
H -2.898810 2.776617 -1.002374
H 0.037327 -3.987017 1.930136
H 0.045831 -3.314991 -2.327915
H -4.859023 -1.564835 0.481409
H -5.257856 2.211227 -1.561422
H 0.070436 -4.877834 -0.391508
H -6.234938 0.043549 -0.826525
H 6.196270 -1.527518 -0.120578


%chk=000274800-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274800

0 1
S 5.492412 -0.451342 -1.460758
O 2.656613 0.275302 -1.300372
O 5.175517 0.162132 1.216289
N -1.190627 1.192678 0.258767
N -0.811496 2.551021 0.474217
N 0.489270 2.529090 0.804925
C -0.106638 0.345634 0.472008
C 0.947097 1.211694 0.820763
C -0.087386 -1.119334 0.277899
C -2.559631 0.911405 -0.074678
C 2.389279 0.904292 1.077608
C 0.335063 -1.967582 1.335936
C -0.446455 -1.696314 -0.969673
C -3.203492 -0.250052 0.415203
C -3.263079 1.846407 -0.871633
C 3.144124 0.415095 -0.157161
C 0.394049 -3.366685 1.152035
C -0.390838 -3.094060 -1.148939
C -4.554928 -0.483297 0.082049
C -4.616370 1.605959 -1.187504
C 0.028653 -3.934359 -0.090316
C -5.265932 0.439839 -0.718867
C 4.635513 0.079622 0.093465
H 2.539498 0.151693 1.875585
H 2.896379 1.817201 1.445909
H 0.597270 -1.530989 2.306816
H -0.747152 -1.047633 -1.798965
H -2.663367 -0.956442 1.051511
H -2.748215 2.745768 -1.219789
H 0.718232 -4.010399 1.976980
H -0.664612 -3.527076 -2.117005
H -5.053567 -1.382519 0.459203
H -5.162247 2.329431 -1.802340
H 0.073309 -5.019426 -0.234049
H -6.315658 0.255421 -0.970912
H 6.708412 -0.624181 -0.812607


