%chk=000248183.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248183

0 1
S 0.225653 -0.598278 0.629766
S 2.726996 0.874582 -0.107771
S -2.712203 0.792475 -0.150067
N -1.226688 2.811989 -1.047425
N -0.146584 3.466857 -1.315719
C 0.047150 0.949278 -0.178317
C -0.244142 -1.790746 -0.674412
C 1.216530 1.663974 -0.478246
C -0.083636 -3.120535 -0.015594
C 4.013814 2.022475 -0.705576
C -1.179629 1.556993 -0.474928
C 5.285418 1.287819 -0.429049
C -3.952850 1.973864 -0.779194
C -5.253230 1.286001 -0.533072
C -1.174367 -3.723066 0.632353
C 1.158805 -3.775080 -0.039257
C 1.088771 2.942177 -1.049949
C 5.870404 0.489151 -1.425049
C 5.900784 1.392555 0.829015
C -5.896878 1.416595 0.708502
C -5.841610 0.505438 -1.541556
C -1.022310 -4.970212 1.243272
C 1.303483 -5.021964 0.574037
C 7.061719 -0.192418 -1.163694
C 7.091452 0.707312 1.083331
C -7.116815 0.774426 0.934565
C -7.062195 -0.133313 -1.308883
C 0.214610 -5.622377 1.214308
C 7.674561 -0.084477 0.088788
C -7.701792 -0.000332 -0.072272
H -1.281545 -1.608619 -1.018079
H 0.410482 -1.671964 -1.558635
H 3.965299 2.988360 -0.166746
H 3.883269 2.245338 -1.781596
H -3.866362 2.946279 -0.251507
H -3.771872 2.202460 -1.849215
H -2.138067 -3.216020 0.665028
H 2.012644 -3.308308 -0.528661
H 1.940553 3.574702 -1.309059
H 5.395976 0.395674 -2.400499
H 5.449258 2.002462 1.610367
H -5.444701 2.016154 1.497716
H -5.347418 0.396023 -2.505658
H -1.870136 -5.433816 1.745245
H 2.268551 -5.525793 0.554736
H 7.512956 -0.810616 -1.938514
H 7.565195 0.789700 2.060685
H -7.612580 0.878015 1.898700
H -7.515884 -0.736590 -2.093769
H 0.330125 -6.593581 1.690997
H 8.602438 -0.616662 0.289690
H -8.652602 -0.498658 0.106270


%chk=000248183-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248183

0 1
S 0.364698 -0.781935 0.955489
S 3.051126 0.822890 0.078086
S -2.533364 0.512658 0.163334
N -1.134071 2.575026 -0.971556
N -0.002065 3.273232 -1.315088
C 0.257773 0.806924 0.042685
C 0.004666 -1.995919 -0.526843
C 1.419367 1.526941 -0.322477
C -0.359595 -3.352774 0.012757
C 4.236626 2.129946 -0.702553
C -0.999629 1.382021 -0.301638
C 5.656876 1.659314 -0.505989
C -3.836395 1.680665 -0.651368
C -5.205052 1.083314 -0.441104
C -1.691683 -3.628196 0.421654
C 0.619538 -4.373825 0.123183
C 1.225467 2.770329 -0.996416
C 6.298048 0.872604 -1.497721
C 6.370150 1.990401 0.675359
C -5.974452 1.421832 0.702580
C -5.747534 0.171220 -1.384058
C -2.037881 -4.902185 0.920442
C 0.273818 -5.649382 0.623181
C 7.627372 0.431415 -1.316496
C 7.699139 1.549245 0.858748
C -7.258395 0.865962 0.897195
C -7.031117 -0.385910 -1.192127
C -1.056224 -5.916991 1.021738
C 8.331545 0.768876 -0.137182
C -7.790554 -0.039986 -0.049828
H -0.822979 -1.528970 -1.083334
H 0.922859 -2.008031 -1.133039
H 4.045050 3.086924 -0.190663
H 3.975322 2.211148 -1.770156
H -3.706570 2.662510 -0.173729
H -3.552899 1.765758 -1.710680
H -2.448713 -2.837952 0.350842
H 1.652195 -4.167100 -0.183529
H 2.057891 3.404397 -1.308602
H 5.753932 0.607248 -2.412217
H 5.881937 2.592683 1.450923
H -5.564285 2.123204 1.439049
H -5.160944 -0.098078 -2.270787
H -3.069145 -5.104603 1.230349
H 1.037842 -6.430941 0.700823
H 8.112792 -0.171380 -2.091891
H 8.240133 1.813895 1.773869
H -7.842718 1.139515 1.782838
H -7.439179 -1.084545 -1.931135
H -1.325687 -6.906025 1.409052
H 9.363206 0.428104 0.004004
H -8.787439 -0.469769 0.099429


