%chk=000198830.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198830

0 1
S -4.711578 0.695358 1.196963
N -1.003420 0.097656 -0.116149
C 0.409353 -0.079590 0.398846
C 1.327937 -0.192800 -0.848618
C -2.045124 -0.147645 0.939975
C 0.558129 -1.338098 1.261486
C 2.780856 -0.086397 -0.484247
C -1.173129 1.472224 -0.683199
C -3.407509 -0.117311 0.346884
C 3.330021 1.156708 -0.129319
C 3.603431 -1.223489 -0.501785
C -3.882175 -0.670502 -0.801813
C 4.682628 1.257293 0.204306
C 4.956460 -1.116898 -0.168489
C 5.499361 0.121841 0.185936
C -5.298031 -0.448224 -1.008188
C -5.890022 0.268275 -0.017374
H 0.730021 0.807025 1.007352
H 1.067017 0.597528 -1.586852
H 1.107461 -1.143604 -1.375554
H -1.958330 0.558618 1.797493
H -1.882118 -1.174360 1.356892
H 1.619835 -1.554440 1.443627
H 0.130240 -2.219916 0.768216
H 0.083843 -1.231329 2.241693
H -0.415532 1.639577 -1.467926
H -1.099881 2.285705 0.052739
H -2.159802 1.538646 -1.172608
H 2.701541 2.044281 -0.115915
H 3.188433 -2.190933 -0.777078
H -3.274642 -1.220685 -1.509921
H 5.102684 2.223617 0.478339
H 5.589471 -2.002571 -0.185792
H 6.552337 0.202740 0.444875
H -5.804418 -0.834697 -1.882790
H -6.918045 0.566698 0.078994


%chk=000198830-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198830

0 1
S -4.961061 0.357222 1.197442
N -1.023600 0.329352 0.062691
C 0.384321 0.032310 0.485393
C 1.257367 -0.202148 -0.795137
C -2.102103 -0.002313 1.024881
C 0.512780 -1.186912 1.420184
C 2.753685 -0.151112 -0.525944
C -1.172537 1.717484 -0.432227
C -3.442548 -0.114837 0.327935
C 3.388965 1.084818 -0.229323
C 3.550053 -1.324882 -0.550388
C -3.736833 -0.603478 -0.935506
C 4.774692 1.145987 0.036379
C 4.938478 -1.269897 -0.286824
C 5.556097 -0.033369 0.009690
C -5.148270 -0.620625 -1.245445
C -5.947029 -0.146839 -0.218132
H 0.806585 0.918535 1.024885
H 0.994223 0.562570 -1.548604
H 0.966895 -1.180699 -1.220368
H -2.179592 0.742433 1.859594
H -1.871936 -0.974184 1.492619
H 1.583529 -1.410484 1.567959
H 0.038295 -2.081037 0.973315
H 0.072951 -1.009396 2.417116
H -0.454007 1.922618 -1.242971
H -1.008516 2.476192 0.373890
H -2.187700 1.859196 -0.838364
H 2.793462 2.006971 -0.218078
H 3.078512 -2.287716 -0.783978
H -2.949155 -0.927392 -1.619437
H 5.246524 2.109974 0.259323
H 5.536074 -2.188357 -0.315259
H 6.631943 0.012246 0.212935
H -5.553166 -0.972788 -2.197727
H -7.030074 -0.049142 -0.171518


