%chk=000250698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250698

0 1
S -0.170599 0.038684 -2.296665
N 2.062954 -1.194503 -0.117827
N -1.660625 -1.270516 -0.513958
N 1.578209 -2.409642 1.771080
N -0.903861 -2.438426 1.481763
C 0.670718 -1.326172 -0.076984
C 2.889417 -0.479978 -1.110253
C -0.385680 -0.875546 -0.923564
C -2.886189 -0.885474 -1.280932
C 0.396694 -2.100111 1.119331
C 3.488821 0.765279 -0.503504
C 2.563754 -1.848269 1.014650
C -3.707344 0.113388 -0.504933
C -1.862362 -2.020940 0.684723
C 4.828423 0.771839 -0.089701
C 2.703767 1.917976 -0.361179
C -4.924494 -0.275066 0.073032
C -3.258355 1.435063 -0.372691
C 5.379198 1.931409 0.463157
C 3.259907 3.073229 0.194750
C -5.687381 0.657850 0.781059
C -4.024058 2.362008 0.339490
C 4.596425 3.081672 0.607074
C -5.237893 1.975371 0.916974
H 2.268901 -0.214812 -2.010737
H 3.677094 -1.174889 -1.486987
H -3.461481 -1.811849 -1.511599
H -2.608237 -0.456624 -2.281751
H 3.620027 -1.896666 1.255695
H -2.910966 -2.253129 0.940615
H 5.444558 -0.118046 -0.200025
H 1.660852 1.911984 -0.685721
H -5.285040 -1.296377 -0.031375
H -2.312797 1.738386 -0.827251
H 6.420165 1.938169 0.783154
H 2.649424 3.968598 0.306021
H -6.633806 0.356969 1.228409
H -3.673516 3.388339 0.443294
H 5.027530 3.983164 1.039719
H -5.832954 2.699561 1.471348


%chk=000250698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250698

0 1
S -0.188410 0.141004 -2.296154
N 2.059276 -1.195367 -0.068880
N -1.660602 -1.281075 -0.426513
N 1.580675 -2.433840 1.808806
N -0.875032 -2.468228 1.542809
C 0.664070 -1.328236 -0.030378
C 2.922062 -0.494287 -1.062825
C -0.381235 -0.849362 -0.886253
C -2.902337 -0.931672 -1.195692
C 0.398993 -2.106746 1.145641
C 3.567055 0.765193 -0.499710
C 2.543783 -1.868680 1.052045
C -3.779810 0.085117 -0.481728
C -1.836454 -2.038212 0.737053
C 4.970089 0.838645 -0.321601
C 2.766857 1.887762 -0.163921
C -5.112826 -0.240939 -0.130501
C -3.280287 1.378783 -0.179571
C 5.569002 2.013293 0.189873
C 3.362975 3.058921 0.350519
C -5.938695 0.708962 0.513768
C -4.102663 2.324997 0.468147
C 4.765577 3.124857 0.530212
C -5.434069 1.993358 0.817007
H 2.268165 -0.251585 -1.919251
H 3.693616 -1.210627 -1.397639
H -3.455589 -1.870212 -1.376415
H -2.546010 -0.538149 -2.165499
H 3.607718 -1.914367 1.274372
H -2.875532 -2.274238 0.982177
H 5.598112 -0.021268 -0.587945
H 1.682311 1.841454 -0.319855
H -5.509077 -1.237303 -0.364835
H -2.253739 1.638499 -0.463642
H 6.655594 2.059976 0.322347
H 2.738094 3.921970 0.605998
H -6.968483 0.446506 0.780194
H -3.709917 3.321829 0.697466
H 5.226855 4.035262 0.928794
H -6.070909 2.729908 1.319278


