%chk=000285453.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285453

0 1
S 7.567494 0.286674 -0.796595
S 5.426432 0.553778 -2.809533
O -2.695149 0.042908 -0.143199
O -0.845679 -0.110716 2.022737
O 5.161863 0.033865 2.207496
N 5.061610 0.271118 -0.131447
N 3.685769 0.173593 -0.054452
C -1.349060 0.170574 -0.419240
C 1.424237 0.467870 -0.738062
C -0.486157 0.081604 0.710298
C -3.602279 -0.138788 -1.278445
C -4.950718 -0.303806 -0.634058
C 0.895284 0.229808 0.541057
C -0.811993 0.398670 -1.688480
C 0.569211 0.550286 -1.846565
C 2.877417 0.644207 -0.959815
C -5.764571 -1.393588 -0.973939
C -5.398980 0.643489 0.298234
C 7.235291 0.057254 0.964783
C 5.745242 0.099904 1.166413
C -7.027456 -1.525655 -0.389384
C -6.659190 0.501532 0.884487
C 5.860589 0.383909 -1.262723
C -7.475640 -0.580539 0.539189
C -2.217531 -0.485996 2.307645
H -3.276041 -1.025189 -1.850008
H -3.558314 0.766312 -1.912614
H 1.550529 0.149937 1.415087
H -1.455187 0.470411 -2.561662
H 0.973329 0.728538 -2.842501
H 3.138023 1.167791 -1.895294
H -5.419000 -2.138089 -1.688883
H -4.755448 1.482017 0.566181
H 7.736067 0.845365 1.568664
H 7.650824 -0.910426 1.323355
H -7.662108 -2.369549 -0.656175
H -7.006071 1.235926 1.610066
H -8.459016 -0.687839 0.993952
H -2.480395 -1.404709 1.775170
H -2.893497 0.332205 2.033273
H -2.184731 -0.639354 3.392185


%chk=000285453-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285453

0 1
S 7.606824 -0.125753 -0.814117
S 5.172687 -1.499812 -2.094392
O -2.722186 -0.234740 -0.066409
O -0.986251 -0.413797 2.148766
O 5.349099 1.912266 1.752829
N 5.111976 0.370623 -0.029228
N 3.720663 0.240965 0.274401
C -1.350993 -0.114370 -0.303615
C 1.462067 0.175911 -0.581948
C -0.496821 -0.243345 0.845526
C -3.649150 0.021746 -1.195082
C -5.063201 -0.029916 -0.658506
C 0.888818 -0.092473 0.693462
C -0.781446 0.134415 -1.576703
C 0.612391 0.280385 -1.713293
C 2.903980 0.342917 -0.760538
C -6.070256 -0.719489 -1.375967
C -5.402338 0.642522 0.542937
C 7.361807 1.069462 0.624391
C 5.862765 1.185919 0.878042
C -7.404512 -0.728225 -0.908170
C -6.732199 0.624603 1.015882
C 5.802869 -0.408515 -0.977750
C -7.738242 -0.056147 0.289413
C -1.873911 -1.569430 2.411157
H -3.496458 -0.739094 -1.985721
H -3.411732 1.022356 -1.613304
H 1.530425 -0.176284 1.574990
H -1.417851 0.221772 -2.461547
H 1.042766 0.472671 -2.702821
H 3.258342 0.570905 -1.777304
H -5.814487 -1.253929 -2.299387
H -4.619331 1.158888 1.108744
H 7.779517 2.056110 0.371885
H 7.861538 0.675106 1.523125
H -8.176617 -1.263801 -1.471384
H -6.985461 1.141966 1.947847
H -8.770635 -0.065878 0.656115
H -1.360811 -2.513819 2.146500
H -2.819671 -1.480081 1.853057
H -2.058975 -1.537309 3.495314


