%chk=000246716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246716

0 1
S 1.568796 0.864611 -2.251304
P 0.931955 0.069255 -0.599124
N 1.792216 0.642290 0.838029
N 1.145452 -1.682982 -0.551336
N -0.757825 0.359411 -0.249538
C 2.559862 1.924695 0.776476
C 1.290839 1.833954 1.593656
C 2.244584 -2.325178 0.236254
C 2.286996 -2.320943 -1.275715
C -1.642436 0.370793 -1.460627
C -1.298682 -0.516869 0.842831
C -3.028661 0.904782 -1.055183
C -2.678541 0.015987 1.270431
C -3.639538 0.068913 0.076133
H 2.603653 2.538348 -0.133598
H 3.539442 1.889405 1.267390
H 1.340218 1.734330 2.683825
H 0.387127 2.374790 1.289682
H 1.943686 -3.228577 0.778854
H 2.959966 -1.737595 0.821843
H 3.035465 -1.733281 -1.821115
H 2.016943 -3.221141 -1.841056
H -1.753140 -0.635957 -1.924055
H -1.208909 1.048854 -2.235448
H -0.609121 -0.490777 1.717144
H -1.395187 -1.583610 0.531381
H -3.693508 0.907579 -1.938411
H -2.934891 1.960632 -0.731197
H -2.566525 1.029781 1.703104
H -3.090309 -0.623978 2.071806
H -4.609478 0.499594 0.386498
H -3.858349 -0.955014 -0.282427


%chk=000246716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246716

0 1
S 1.618280 1.031386 -2.051018
P 0.848505 0.018389 -0.376126
N 1.122343 0.781561 1.233963
N 1.547570 -1.600109 -0.000097
N -0.846874 -0.262240 -0.410497
C 2.439362 1.497708 1.467670
C 1.163978 2.296162 1.276644
C 3.021278 -1.823456 -0.284495
C 1.971297 -2.456148 -1.177668
C -1.719551 0.171657 -1.518863
C -1.520225 -0.980182 0.698645
C -2.876954 1.047228 -0.985244
C -2.674778 -0.125447 1.269099
C -3.642788 0.317989 0.145454
H 3.160049 1.526080 0.639159
H 2.857706 1.349296 2.467495
H 0.651416 2.731207 2.139491
H 1.058445 2.835027 0.325277
H 3.537071 -2.419306 0.474167
H 3.590336 -0.989849 -0.717824
H 1.858827 -2.030768 -2.183965
H 1.719906 -3.515129 -1.069020
H -2.137751 -0.726768 -2.024694
H -1.106815 0.720047 -2.256769
H -0.776810 -1.213248 1.478346
H -1.920810 -1.942237 0.310608
H -3.560218 1.296967 -1.820257
H -2.457646 1.997665 -0.600469
H -2.242106 0.764728 1.765889
H -3.215206 -0.709432 2.039682
H -4.437108 0.969963 0.555946
H -4.148631 -0.576640 -0.275326


