%chk=000292841.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292841

0 1
S -1.830269 1.908817 0.603104
S 1.732902 -1.531949 -1.076175
O -2.635821 3.016617 1.086640
O -0.581888 2.199184 -0.057472
O 2.538998 -2.592679 -1.654961
O 0.493216 -1.176342 -1.721015
N -1.524636 1.104477 2.124489
N 1.406920 -2.251766 0.482833
N -0.058924 -0.571068 1.298297
C -2.806530 0.821179 -0.279520
C 2.712911 -0.175670 -0.736654
C -0.767807 -0.049253 2.357454
C 0.641149 -1.733518 1.533161
C -0.778782 -0.641003 3.646989
C 0.634906 -2.400271 2.785611
C -4.204811 0.916488 -0.170313
C -2.237212 -0.142533 -1.115112
C 4.110477 -0.327352 -0.733775
C 2.147576 1.075793 -0.481189
C -0.076145 -1.827652 3.836440
C -5.022411 0.046319 -0.886850
C -3.060351 -1.018394 -1.835949
C 4.931256 0.765751 -0.468183
C 2.973917 2.175754 -0.213636
C -4.446745 -0.925524 -1.721376
C 4.359532 2.021361 -0.205691
H -1.923156 1.546162 2.969934
H 1.799152 -3.193734 0.648822
H -1.330296 -0.188439 4.462034
H 1.179939 -3.325763 2.925869
H -4.652440 1.683361 0.471962
H -1.138731 -0.226649 -1.217205
H 4.555146 -1.305200 -0.950777
H 1.049776 1.213618 -0.485997
H -0.082742 -2.312106 4.815037
H -6.105180 0.119425 -0.804449
H -2.601103 -1.766951 -2.483567
H 6.013484 0.650449 -0.466715
H 2.517750 3.146808 -0.014597
H -5.089423 -1.606143 -2.281396
H 5.004694 2.875996 0.002297


%chk=000292841-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292841

0 1
S -1.913391 1.881044 0.798154
S 1.810750 -1.667921 -0.933794
O -2.873367 3.046784 1.406191
O -0.508457 2.267777 0.097021
O 2.768684 -2.864863 -1.481929
O 0.416619 -1.333903 -1.681899
N -1.677146 0.881095 2.315616
N 1.552404 -2.267117 0.778652
N -0.062776 -0.687270 1.534282
C -2.955075 0.782581 -0.336756
C 2.861433 -0.107055 -0.738076
C -0.841199 -0.214808 2.551195
C 0.706984 -1.786563 1.783545
C -0.875557 -0.803639 3.849093
C 0.724226 -2.461885 3.038968
C -4.336448 1.040850 -0.337300
C -2.316206 -0.187069 -1.120462
C 4.243329 -0.274402 -0.930818
C 2.229535 1.109471 -0.448416
C -0.079955 -1.943338 4.071333
C -5.136340 0.250031 -1.193488
C -3.143557 -0.966294 -1.965438
C 5.051814 0.879179 -0.813863
C 3.065441 2.246979 -0.334072
C -4.540997 -0.749634 -2.000384
C 4.463742 2.131892 -0.514498
H -2.139511 1.359281 3.096093
H 2.011153 -3.178961 0.877215
H -1.514213 -0.393066 4.635823
H 1.356432 -3.339925 3.196293
H -4.756750 1.834062 0.288904
H -1.234123 -0.356627 -1.091139
H 4.657452 -1.256983 -1.177729
H 1.146773 1.197264 -0.305186
H -0.086656 -2.429107 5.052550
H -6.217387 0.419735 -1.230588
H -2.679924 -1.735488 -2.590833
H 6.133639 0.796875 -0.961164
H 2.607868 3.214685 -0.106169
H -5.168842 -1.356952 -2.661532
H 5.097899 3.020888 -0.426999


