%chk=000216100.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216100

0 1
S -0.413078 2.207835 -0.903295
O 0.379215 -0.256957 -1.637273
O 0.794114 -2.093360 1.318683
N -1.077731 -2.021461 0.058146
N -4.239614 -0.156385 -0.760061
C 0.723540 -0.226496 -0.235025
C -2.102996 -1.320507 -0.751916
C 0.147148 -1.508282 0.456661
C 2.235811 -0.092162 -0.091795
C -3.119610 -0.573367 0.143397
C 0.044165 0.999925 0.265346
C -1.536052 -3.279182 0.705422
C 2.893203 -0.399564 1.105540
C 2.972338 0.410203 -1.177080
C -0.284809 1.393245 1.528043
C -4.577272 1.285160 -0.579563
C -5.446564 -1.009718 -0.553841
C -0.921415 2.689454 1.557170
C 4.278780 -0.234136 1.206090
C 4.354603 0.573788 -1.072834
C -1.060601 3.254388 0.325287
C 5.011690 0.248543 0.119222
H -1.620295 -0.600181 -1.457428
H -2.626346 -2.065284 -1.392616
H -3.452379 -1.217386 0.982935
H -2.622932 0.300828 0.617003
H -0.720204 -3.727581 1.308338
H -1.832098 -4.008483 -0.065150
H -2.389242 -3.098364 1.377675
H 2.330652 -0.789899 1.960248
H 2.460597 0.688414 -2.100298
H -0.094869 0.823320 2.428308
H 0.844511 -0.999951 -2.088795
H -5.347269 1.565987 -1.316118
H -3.682429 1.890795 -0.803172
H -4.941026 1.556622 0.421592
H -5.177174 -2.063509 -0.726845
H -6.202720 -0.741913 -1.309997
H -5.910776 -0.927011 0.439569
H -1.238830 3.141032 2.487292
H 4.783880 -0.485177 2.137386
H 4.920186 0.960193 -1.918509
H -1.491892 4.207353 0.073539
H 6.089689 0.375030 0.199419


%chk=000216100-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216100

0 1
S -0.301306 2.256862 -1.082593
O 0.484745 -0.460825 -1.818215
O 0.917302 -2.329315 1.118065
N -1.140920 -1.943846 0.156046
N -4.310079 0.025278 -0.623087
C 0.770093 -0.330925 -0.370203
C -2.152460 -1.213675 -0.647079
C 0.184304 -1.603067 0.371650
C 2.296071 -0.158850 -0.153068
C -3.224915 -0.512779 0.225926
C 0.062571 0.931316 0.091021
C -1.598015 -3.181937 0.830380
C 2.905588 -0.332373 1.115813
C 3.093507 0.281856 -1.239962
C -0.278069 1.300147 1.383630
C -4.898193 1.280152 -0.116059
C -5.334929 -0.974869 -0.974023
C -0.838179 2.627056 1.481107
C 4.288019 -0.101358 1.279360
C 4.477926 0.511977 -1.073462
C -0.925028 3.274164 0.259215
C 5.083433 0.315404 0.186867
H -1.662328 -0.473179 -1.289489
H -2.642891 -1.945137 -1.319639
H -3.614627 -1.218816 1.002736
H -2.741562 0.322366 0.761121
H -0.863472 -3.989666 0.673985
H -2.573951 -3.474953 0.410770
H -1.697849 -3.035643 1.921568
H 2.310726 -0.670533 1.966334
H 2.626588 0.475134 -2.211292
H -0.127175 0.643209 2.244453
H 1.046015 -1.195429 -2.176834
H -5.599655 1.688467 -0.866759
H -4.098967 2.024773 0.044737
H -5.460550 1.157318 0.844886
H -4.865347 -1.865829 -1.427255
H -6.030862 -0.549521 -1.719391
H -5.938025 -1.315278 -0.092610
H -1.163935 3.076903 2.422233
H 4.745223 -0.251455 2.263870
H 5.076909 0.852416 -1.925731
H -1.308557 4.267623 0.032302
H 6.156728 0.492634 0.319375


