%chk=000273058.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273058

0 1
S -5.676598 -0.089118 1.510438
S 4.909596 1.257261 1.668472
P -4.438530 0.459530 0.126979
P 4.357894 0.462241 -0.007733
N -4.901573 0.000848 -1.510695
N -4.219945 2.207505 0.033878
N 4.282662 1.607547 -1.348626
N 5.415639 -0.817604 -0.601026
N -2.817938 -0.212000 0.267748
N 2.780531 -0.314835 0.025771
C -5.535309 0.978062 -2.451848
C -6.344972 -0.158447 -1.869052
C -2.960047 2.863664 0.504862
C -4.246970 3.029270 1.282736
C 2.972870 2.136107 -1.844170
C 3.924338 3.035485 -1.086581
C 6.875378 -0.804790 -0.275756
C 6.408415 -0.578336 -1.696135
C -2.693255 -1.339063 1.244849
C 2.316663 -0.714981 1.392704
C -1.297340 -1.913719 1.158190
C 1.110633 -1.613846 1.240943
C -0.180822 -1.076757 1.297349
C -1.117542 -3.289291 0.957131
C 1.287483 -2.991549 1.040944
C 0.173687 -3.822584 0.901355
H -5.161716 0.921578 -3.480932
H -5.733001 2.016922 -2.163733
H -7.150707 0.030405 -1.148847
H -6.565445 -1.048698 -2.470852
H -2.598468 3.668829 -0.145249
H -2.124489 2.287619 0.918276
H -4.371414 2.582675 2.276519
H -4.829475 3.955451 1.201719
H 2.896219 2.204669 -2.935651
H 2.018015 1.829203 -1.402221
H 3.679782 3.403731 -0.082660
H 4.546217 3.762882 -1.622867
H 7.279802 -1.778437 0.027046
H 7.337689 0.002868 0.304872
H 6.469867 -1.385856 -2.435003
H 6.517855 0.400569 -2.176541
H -2.382925 -0.474841 -0.643838
H 2.684086 -1.114262 -0.638141
H -2.856916 -0.941094 2.280121
H -3.452918 -2.145744 1.103977
H 2.045662 0.212476 1.958055
H 3.091327 -1.231638 2.010224
H -0.325286 -0.005303 1.441493
H -1.978828 -3.946334 0.846867
H 2.290044 -3.414428 0.999276
H 0.310976 -4.892541 0.748660


%chk=000273058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273058

0 1
S -4.614993 0.929086 1.375041
S 2.578436 2.021794 0.887052
P -3.123596 0.665961 -0.078150
P 2.976360 0.514728 -0.537206
N -3.477683 1.070943 -1.791362
N -1.621945 1.645004 0.140513
N 2.170334 0.544878 -2.129992
N 4.686326 0.434442 -1.105751
N -2.616912 -0.961969 -0.286644
N 2.593248 -1.068268 0.005616
C -4.272660 2.331652 -2.077065
C -4.924550 0.972194 -2.238964
C -1.167035 1.884057 1.578166
C -1.766750 3.020359 0.782637
C 0.758302 1.093571 -2.234331
C 1.924625 1.887659 -2.791263
C 5.765364 0.754230 -0.087037
C 5.467858 1.734353 -1.203930
C -2.707954 -2.012889 0.728565
C 2.349373 -1.457924 1.403652
C -1.358636 -2.528921 1.238820
C 1.070834 -2.275893 1.570746
C -0.166338 -1.789809 1.076973
C -1.307420 -3.780668 1.906926
C 1.104453 -3.522233 2.239289
C -0.084346 -4.270689 2.409435
H -3.925629 2.888793 -2.951730
H -4.603144 2.935639 -1.221853
H -5.668567 0.684340 -1.484382
H -5.050481 0.537280 -3.234350
H -0.080675 1.820781 1.697246
H -1.787971 1.459920 2.378202
H -2.778861 3.340978 1.063167
H -1.116124 3.781273 0.341952
H 0.125506 0.520023 -2.919328
H 0.249611 1.455601 -1.330114
H 2.217342 2.789611 -2.237303
H 2.127528 1.898996 -3.866099
H 6.636745 0.095862 -0.147086
H 5.445868 1.048370 0.921816
H 6.121083 1.794011 -2.079241
H 4.954940 2.661509 -0.914261
H -2.162849 -1.180100 -1.176606
H 2.601945 -1.804845 -0.703874
H -3.301494 -1.599275 1.570015
H -3.296578 -2.864965 0.332531
H 2.284585 -0.516203 1.986172
H 3.208804 -2.031752 1.806328
H -0.195059 -0.830203 0.548059
H -2.224958 -4.370508 2.029856
H 2.057176 -3.910821 2.620255
H -0.052531 -5.238664 2.922185


