%chk=000218741.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218741

0 1
S -6.827901 -0.264173 -1.314901
S -7.553940 -0.237227 0.610709
O 1.817104 0.898477 0.047567
O -6.448744 -1.315344 1.271265
O -7.288851 1.028021 1.202692
O -8.813283 -0.898200 0.663951
O 7.957488 0.259888 0.717122
O 7.354645 -1.809541 0.518433
N -2.925110 0.606036 -0.568542
N 3.411325 -0.826454 0.122778
N 7.118098 -0.612453 0.565401
C -1.719561 -0.239291 -0.307992
C -0.487100 0.675711 -0.247510
C -4.176104 -0.214428 -0.624327
C 0.786476 -0.151260 -0.143677
C -5.283383 0.688801 -1.162598
C 3.098709 0.512105 0.170145
C 4.057099 1.546281 0.345733
C 5.381747 1.175004 0.475661
C 5.722932 -0.197806 0.429546
C 4.711159 -1.168590 0.251537
H -1.799127 -0.842388 0.623146
H -1.617519 -0.959428 -1.152161
H -0.451914 1.326618 -1.149073
H -0.553141 1.377902 0.609235
H -3.014482 1.318693 0.166362
H -4.011555 -1.075378 -1.312985
H -4.458379 -0.652784 0.363295
H 1.034314 -0.709442 -1.062342
H 0.818485 -0.820597 0.732507
H -5.032450 1.063086 -2.180346
H -5.435258 1.591940 -0.534450
H 3.734397 2.585733 0.372533
H 6.174959 1.921096 0.613751
H 4.956860 -2.244342 0.212513
H -6.800197 -2.020266 1.841019


%chk=000218741-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218741

0 1
S -6.863741 -0.379523 -1.549390
S -7.714409 -0.118689 0.749272
O 1.895932 1.007665 0.045082
O -7.260794 -1.828691 1.326313
O -6.737715 0.935995 1.504939
O -9.314280 0.044971 0.898807
O 8.129958 0.322176 0.745742
O 7.461499 -1.856141 0.560891
N -2.922733 0.430081 -0.570513
N 3.494361 -0.728775 0.150206
N 7.221195 -0.586123 0.594549
C -1.649953 -0.300476 -0.427642
C -0.473659 0.687127 -0.279916
C -4.130784 -0.381693 -0.794030
C 0.857004 -0.050228 -0.128984
C -5.279004 0.554460 -1.202860
C 3.203084 0.602264 0.180639
C 4.180288 1.627362 0.345988
C 5.517799 1.242624 0.484149
C 5.825751 -0.143067 0.452179
C 4.796689 -1.094520 0.285147
H -1.660617 -1.004041 0.441856
H -1.510877 -0.921284 -1.335100
H -0.440415 1.349815 -1.162801
H -0.631086 1.329284 0.609010
H -3.053903 1.151108 0.152098
H -3.920642 -1.097505 -1.611321
H -4.442905 -0.981731 0.092688
H 1.112499 -0.653812 -1.018741
H 0.879239 -0.713780 0.754909
H -5.041992 1.130487 -2.116906
H -5.503318 1.278519 -0.392727
H 3.869764 2.674265 0.360586
H 6.321434 1.971679 0.614115
H 5.029021 -2.162766 0.260162
H -7.804894 -2.021039 2.147603


