%chk=000214099.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214099

0 1
S -3.729689 0.220438 0.632050
S 1.459394 1.602949 0.251632
O -4.471704 -0.932743 1.104934
O -3.760854 1.481662 1.344672
N -4.299293 0.547264 -0.965439
N 1.922331 -1.473171 -0.051073
C -2.073948 -0.256188 0.439201
C 0.602736 -1.039015 0.125672
C 0.265369 0.325025 0.267167
C -1.061132 0.709516 0.435120
C -1.746870 -1.611312 0.321355
C 3.068066 -0.632041 -0.098461
C -0.424975 -2.013932 0.158824
C 2.978053 0.764439 0.022634
C 4.329121 -1.237125 -0.277392
C -3.720709 1.745134 -1.614870
C -4.408483 -0.630992 -1.854773
C 4.127338 1.554545 -0.032919
C 5.472148 -0.437868 -0.332196
C 5.376819 0.952383 -0.211258
H -1.317885 1.769059 0.575265
H -2.539605 -2.369569 0.366582
H -0.188090 -3.070845 0.069764
H 2.085565 -2.477760 -0.129641
H 4.419253 -2.316607 -0.372005
H -3.771657 2.601316 -0.913049
H -4.334062 2.023384 -2.490590
H -2.681065 1.619267 -1.956435
H -5.020848 -0.372594 -2.737240
H -3.442548 -1.018475 -2.215030
H -4.949922 -1.438954 -1.323817
H 4.057211 2.640584 0.062902
H 6.447799 -0.905285 -0.470232
H 6.273937 1.567313 -0.254554


%chk=000214099-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214099

0 1
S -3.711605 0.268686 0.720867
S 1.576443 1.716553 -0.459000
O -4.443571 -1.028640 1.374241
O -3.640229 1.724999 1.441190
N -4.636315 0.580403 -0.913859
N 2.023682 -1.388593 -0.487800
C -1.938067 -0.241125 0.332200
C 0.704412 -0.986246 -0.225428
C 0.356147 0.392294 -0.103367
C -0.963755 0.767439 0.205276
C -1.641308 -1.607689 0.203196
C 3.191872 -0.617673 -0.268511
C -0.307367 -1.972729 -0.060915
C 3.141634 0.796492 -0.156690
C 4.444422 -1.270291 -0.143320
C -4.035743 1.723747 -1.638845
C -4.757911 -0.673903 -1.691557
C 4.313058 1.533904 0.102467
C 5.623311 -0.527145 0.079453
C 5.561827 0.877534 0.211469
H -1.233598 1.817491 0.361108
H -2.421178 -2.360685 0.352921
H -0.038656 -3.033309 -0.132246
H 2.171540 -2.391606 -0.609896
H 4.490387 -2.363962 -0.218668
H -3.885939 2.555090 -0.930286
H -4.768537 2.051933 -2.398313
H -3.077035 1.483426 -2.152276
H -5.546949 -0.514010 -2.448799
H -3.822155 -0.977735 -2.213957
H -5.092356 -1.479458 -1.016989
H 4.253179 2.622754 0.204826
H 6.582751 -1.048167 0.161560
H 6.469413 1.460021 0.396748


