%chk=000270975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270975

0 1
S 3.849932 1.178301 -1.032674
O 4.321386 2.529228 -0.798025
O 4.349689 0.432885 -2.154201
N 4.417537 0.418105 0.449690
N 4.832301 -1.402281 1.919663
N -2.080038 1.213880 -0.890662
N 3.302541 -1.628471 0.010761
N -2.761671 0.291661 -0.363547
N -6.390219 1.172843 -1.040177
N -6.188654 -0.880586 0.308250
N -4.545920 2.376922 -1.746248
N -4.127898 -1.731223 0.950135
N -8.287085 -0.036467 -0.347562
C 2.143983 1.135004 -0.951140
C 1.433297 0.084505 -1.545478
C 1.453894 2.170248 -0.300108
C -0.644174 1.100267 -0.839475
C 0.038964 0.058743 -1.490572
C 0.064897 2.161624 -0.238004
C 4.184941 -0.903803 0.798004
C 4.590968 -2.698523 2.250155
C -4.149147 0.328000 -0.413923
C 3.715339 -3.500852 1.483460
C 3.094734 -2.920787 0.373330
C 5.290279 -3.236575 3.450585
C -5.015263 1.290143 -1.064280
C -4.820990 -0.757744 0.278967
C -6.919028 0.091475 -0.360874
H 1.974110 -0.725632 -2.054106
H 2.012538 2.997087 0.155839
H 5.074879 0.934394 1.062486
H -0.515887 -0.757959 -1.949150
H -0.475844 2.962984 0.263722
H 3.536925 -4.535836 1.749017
H 2.403048 -3.489418 -0.261410
H 5.912404 -2.471322 3.946886
H 4.575600 -3.610474 4.197931
H 5.957870 -4.068999 3.181342
H -3.553596 2.568759 -1.831915
H -5.192372 3.015688 -2.188498
H -3.119581 -1.721699 0.987590
H -4.619544 -2.473468 1.425279
H -8.723861 -0.794922 0.151348
H -8.867984 0.651997 -0.799012


%chk=000270975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000270975

0 1
S 3.708537 0.643191 -1.296910
O 4.307388 2.144172 -1.486394
O 4.043627 -0.533264 -2.355943
N 4.386646 0.238050 0.384928
N 5.273263 -1.236678 1.956784
N -2.299155 1.244161 -0.627929
N 3.384651 -1.898790 0.535928
N -3.077442 0.186019 -0.866645
N -6.519141 1.568901 -0.194600
N -6.619143 -0.799627 -0.880810
N -4.451821 2.674363 -0.041848
N -4.668292 -1.984149 -1.391463
N -8.536773 0.416378 -0.364571
C 1.855396 0.763959 -1.049105
C 1.068438 -0.385187 -1.245824
C 1.332572 2.029389 -0.733190
C -0.904668 1.006609 -0.789016
C -0.324860 -0.255800 -1.115181
C -0.064330 2.140568 -0.600157
C 4.345412 -1.021961 0.966316
C 5.228084 -2.444234 2.594668
C -4.435791 0.342516 -0.718335
C 4.274942 -3.429216 2.212530
C 3.379460 -3.105104 1.172827
C 6.234078 -2.684050 3.695752
C -5.158148 1.543569 -0.312394
C -5.264835 -0.821368 -0.996673
C -7.171400 0.398287 -0.483317
H 1.545668 -1.340554 -1.479646
H 1.995792 2.892193 -0.618870
H 5.163593 0.861747 0.637245
H -0.980287 -1.118380 -1.256835
H -0.526218 3.102544 -0.357120
H 4.240123 -4.404417 2.704432
H 2.625146 -3.822186 0.830880
H 6.855969 -1.787148 3.836154
H 5.728236 -2.923887 4.649137
H 6.891480 -3.538573 3.449910
H -3.416826 2.592378 -0.152111
H -4.957477 3.513162 0.242538
H -3.653372 -1.999016 -1.484590
H -5.245736 -2.797762 -1.589902
H -9.062457 -0.429086 -0.570874
H -8.997031 1.275983 -0.076377


