%chk=000253864.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253864

0 1
S -2.807846 -1.235935 -0.001537
O 2.863606 -2.525122 -0.071882
O 3.893564 1.979548 0.035459
N 1.655323 1.447115 0.036455
N -0.111420 -1.671433 -0.029130
N 3.382270 -0.279105 -0.018462
N -0.691765 0.551549 0.029301
C -5.168032 0.056487 -0.241225
C 1.085631 -0.928820 -0.019317
C 0.697330 0.439622 0.017406
C -3.697959 0.349442 0.084462
C -1.140823 -0.746477 -0.000137
C 2.455247 -1.382494 -0.040160
C 3.047213 1.106469 0.018829
C -5.836108 -0.769157 0.862719
C -5.906942 1.388159 -0.438042
C 1.245899 2.871669 0.075007
C 4.840409 -0.583185 -0.035816
H -5.228355 -0.515925 -1.203715
H -3.255743 1.072149 -0.632235
H -3.573473 0.798527 1.088304
H -0.155437 -2.676939 -0.054979
H -5.774202 -0.273268 1.838458
H -6.900064 -0.926480 0.648733
H -5.383104 -1.761007 0.973312
H -5.881673 2.007423 0.465761
H -6.961893 1.219912 -0.684477
H -5.473142 1.976421 -1.254311
H 0.638231 3.118658 -0.813586
H 2.140539 3.524152 0.090216
H 0.642164 3.071237 0.978137
H 4.996350 -1.678452 -0.064917
H 5.328918 -0.176298 0.866418
H 5.317185 -0.130442 -0.922347


%chk=000253864-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253864

0 1
S -2.813741 -1.429577 -0.115763
O 2.957674 -2.576612 -0.037881
O 3.837153 2.064705 0.073035
N 1.588103 1.395295 0.018649
N -0.042456 -1.760250 -0.071914
N 3.377742 -0.234017 0.016792
N -0.694788 0.425598 -0.040008
C -5.192933 0.107599 -0.240816
C 1.131735 -0.992317 -0.039052
C 0.693285 0.338321 -0.018452
C -3.673163 0.276716 -0.055507
C -1.107931 -0.872155 -0.073718
C 2.511435 -1.387471 -0.024550
C 2.982682 1.133139 0.038350
C -5.841933 -0.705951 0.903721
C -5.830563 1.516976 -0.346252
C 1.107255 2.789743 0.037452
C 4.839098 -0.472916 0.039259
H -5.370021 -0.422070 -1.199400
H -3.216393 0.875824 -0.858836
H -3.417924 0.726431 0.918172
H -0.074106 -2.779242 -0.089700
H -5.679332 -0.205430 1.877215
H -6.931768 -0.795577 0.745456
H -5.424192 -1.726439 0.974837
H -5.668665 2.093515 0.584235
H -6.920640 1.433963 -0.506052
H -5.405417 2.095113 -1.186949
H 0.512468 2.997881 -0.867912
H 1.990333 3.444132 0.069956
H 0.473955 2.960204 0.924306
H 4.991241 -1.561948 0.016816
H 5.279882 -0.038421 0.951378
H 5.313825 0.003238 -0.834167


