%chk=000286906.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286906

0 1
S 0.422306 -1.773362 -0.650750
O 1.337284 -0.438946 0.040319
O 0.729681 -2.914252 0.164923
O 0.807678 -1.762408 -2.027243
O 3.037961 3.177978 0.103129
O 1.271944 2.002309 -0.280693
N 2.462006 2.105791 -0.025201
C -5.075737 0.510157 0.408847
C -3.680633 -0.057441 0.120882
C -5.150276 0.765849 1.926026
C -6.161687 -0.496996 -0.013460
C -5.318584 1.825533 -0.351691
C -3.419156 -1.426630 0.337472
C -2.629729 0.766059 -0.308265
C -1.116177 -1.127220 -0.350151
C -2.153742 -1.954918 0.108502
C -1.357980 0.239717 -0.542898
C 2.674590 -0.395581 0.124057
C 3.261733 0.893392 0.131336
C 3.475855 -1.549069 0.259347
C 4.662526 1.006906 0.286302
C 4.848391 -1.406017 0.397630
C 5.445663 -0.128927 0.412671
H -6.125367 1.176541 2.210397
H -5.002327 -0.153743 2.502433
H -4.387230 1.482422 2.251797
H -6.118093 -1.423065 0.569871
H -7.164458 -0.078236 0.130373
H -6.069534 -0.764810 -1.072004
H -6.332367 2.202526 -0.173120
H -4.628026 2.617372 -0.039349
H -5.208298 1.692447 -1.433834
H -4.216134 -2.080323 0.694591
H -2.789037 1.836104 -0.456430
H -1.968557 -3.017957 0.294999
H -0.542639 0.910201 -0.860269
H 3.013999 -2.541759 0.278196
H 5.108521 2.009013 0.300632
H 5.477747 -2.293505 0.501996
H 6.525081 -0.040652 0.525327


%chk=000286906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286906

0 1
S 0.503515 -1.624531 -0.809758
O 1.543846 -0.912624 0.804667
O 0.484351 -3.232532 -0.599907
O 1.151894 -0.988265 -2.150548
O 2.928194 3.000525 0.080017
O 1.199843 1.584567 -0.347024
N 2.431138 1.811099 -0.041899
C -5.187319 0.546620 0.425165
C -3.760546 0.042602 0.110395
C -5.381960 0.596632 1.971541
C -6.225715 -0.437879 -0.195509
C -5.454204 1.962562 -0.145953
C -3.353300 -1.244838 0.565077
C -2.823646 0.817760 -0.623063
C -1.187610 -0.931921 -0.429505
C -2.064777 -1.748890 0.305654
C -1.520351 0.347036 -0.896197
C 2.863040 -0.633906 0.545233
C 3.343906 0.667381 0.174562
C 3.827811 -1.665691 0.739845
C 4.726439 0.921501 0.039478
C 5.202995 -1.416849 0.582594
C 5.655136 -0.119872 0.230575
H -6.402672 0.948875 2.209727
H -5.250161 -0.396702 2.436438
H -4.658990 1.289327 2.439247
H -6.117217 -1.460472 0.207981
H -7.251706 -0.093074 0.030418
H -6.112966 -0.492001 -1.293615
H -6.483010 2.273955 0.110236
H -4.764225 2.714688 0.278968
H -5.364336 1.986636 -1.247707
H -4.050222 -1.871181 1.131580
H -3.096493 1.811693 -0.985462
H -1.755028 -2.742562 0.642769
H -0.797922 0.954147 -1.446878
H 3.453095 -2.653934 1.024349
H 5.048291 1.934527 -0.216511
H 5.923649 -2.227336 0.733084
H 6.724431 0.077429 0.106636


