%chk=000280484.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280484

0 1
S -0.000107 2.148108 -0.002783
N -2.572447 1.201481 -0.027958
N 2.572144 1.201350 0.025757
N -0.674359 -0.373894 -0.005468
N 0.673919 -0.373926 0.008593
C -3.698206 0.316381 -0.039243
C 3.697848 0.316192 0.037682
C -1.245585 0.831559 -0.013461
C 1.245243 0.831500 0.012499
C -4.969417 0.933692 -0.053838
C 4.969114 0.933437 0.050200
C -3.584959 -1.082497 -0.036416
C 3.584508 -1.082684 0.037312
C -6.113391 0.136940 -0.065471
C 6.113045 0.136627 0.062240
C -4.746921 -1.857978 -0.048268
C 4.746427 -1.858223 0.049501
C -6.009410 -1.258480 -0.062776
C 6.008969 -1.258788 0.061969
H -2.779517 2.201745 -0.030784
H 2.779276 2.201602 0.027347
H -5.066938 2.015744 -0.056123
H 5.066711 2.015485 0.050568
H -2.609357 -1.577774 -0.025146
H 2.608863 -1.577910 0.027743
H -7.096164 0.608119 -0.076750
H 7.095858 0.607757 0.071930
H -4.660756 -2.945411 -0.046070
H 4.660186 -2.945652 0.049213
H -6.906473 -1.872723 -0.071930
H 6.905997 -1.873078 0.071432


%chk=000280484-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280484

0 1
S -0.000110 2.292405 -0.002345
N -2.587232 1.214068 -0.028325
N 2.586933 1.213936 0.025828
N -0.701024 -0.316517 -0.006740
N 0.700609 -0.316553 0.007904
C -3.700779 0.327177 -0.039387
C 3.700426 0.326987 0.037733
C -1.243430 0.898232 -0.013796
C 1.243106 0.898168 0.012127
C -4.995025 0.917178 -0.053836
C 4.994719 0.916923 0.050528
C -3.567447 -1.086638 -0.036539
C 3.566996 -1.086822 0.037271
C -6.144052 0.102860 -0.065347
C 6.143696 0.102546 0.062738
C -4.731161 -1.885956 -0.048213
C 4.730663 -1.886199 0.049579
C -6.020476 -1.307029 -0.062608
C 6.020024 -1.307337 0.062335
H -2.818373 2.208096 -0.031540
H 2.818139 2.207952 0.027683
H -5.099913 2.010488 -0.056025
H 5.099682 2.010228 0.050870
H -2.569990 -1.530540 -0.025357
H 2.569501 -1.530671 0.027421
H -7.135077 0.569829 -0.076480
H 7.134760 0.569464 0.072578
H -4.622809 -2.976441 -0.045971
H 4.622236 -2.976679 0.049158
H -6.913899 -1.940050 -0.071551
H 6.913409 -1.940403 0.071808


