%chk=000291442.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291442

0 1
S -2.789803 2.260503 -0.699065
O 2.900474 3.229508 0.474443
O 0.789163 2.844633 0.683112
O 5.388928 -2.238243 -0.874510
O 6.054131 -0.208113 -0.528021
N -0.196569 0.493105 0.254619
N -1.190927 -0.458793 0.144146
N 1.946232 2.476058 0.446001
N 5.187289 -1.062606 -0.615960
C -2.441211 -0.150883 0.365585
C -3.408889 -1.275588 0.225579
C 1.107644 0.110082 0.027879
C -3.011806 1.179716 0.748518
C 2.166213 1.077939 0.125196
C 1.455707 -1.248326 -0.285172
C 3.503838 0.674599 -0.093080
C 3.797770 -0.645926 -0.392900
C -4.444560 -1.183399 -0.716960
C -3.287174 -2.413560 1.035924
C 2.756263 -1.618218 -0.490255
C -2.247587 3.845835 0.034493
C -5.361501 -2.230012 -0.838274
C -4.212475 -3.453875 0.909771
C -5.248749 -3.363001 -0.024546
C -2.251280 4.841560 -1.104767
H -2.528267 1.589747 1.656457
H -4.093316 1.112616 0.993958
H 0.646599 -1.985195 -0.363909
H -0.420340 1.509606 0.396537
H 4.312908 1.424970 -0.020394
H -4.529114 -0.304805 -1.357506
H -2.471781 -2.488796 1.754898
H 3.028164 -2.654715 -0.732511
H -1.232611 3.741430 0.472574
H -2.933106 4.151180 0.845074
H -6.165074 -2.163816 -1.571177
H -4.121765 -4.338547 1.539120
H -5.967302 -4.176077 -0.121832
H -1.916438 5.830370 -0.756234
H -3.249598 4.977598 -1.543686
H -1.570380 4.551341 -1.918328


%chk=000291442-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291442

0 1
S -2.781278 2.270825 -0.920006
O 2.888807 3.293283 0.173586
O 0.660366 2.819844 0.203403
O 5.625970 -2.332989 -0.303774
O 6.228458 -0.129412 -0.219175
N -0.155409 0.345482 0.115156
N -1.123672 -0.642953 0.085143
N 1.921599 2.444517 0.140376
N 5.343906 -1.071845 -0.226207
C -2.381714 -0.257618 0.298709
C -3.424990 -1.306987 0.199795
C 1.177719 0.011173 0.026477
C -2.770228 1.164855 0.643779
C 2.216242 1.017911 0.033270
C 1.583343 -1.361104 -0.067416
C 3.579563 0.658081 -0.049579
C 3.921933 -0.695091 -0.140227
C -4.789160 -0.957681 -0.008734
C -3.079370 -2.686313 0.295621
C 2.926411 -1.713965 -0.151792
C -2.489057 3.961806 -0.089983
C -5.777954 -1.958895 -0.113674
C -4.069351 -3.681571 0.197499
C -5.424995 -3.323198 -0.006023
C -2.393408 5.034621 -1.183211
H -2.034089 1.610534 1.339287
H -3.760095 1.205310 1.118722
H 0.795098 -2.115602 -0.078849
H -0.368391 1.363844 0.088407
H 4.350097 1.433097 -0.039841
H -5.078337 0.092293 -0.127740
H -2.031006 -2.955140 0.453948
H 3.239180 -2.758413 -0.229450
H -1.546233 3.892469 0.478003
H -3.331649 4.152612 0.596166
H -6.821662 -1.674492 -0.285169
H -3.789794 -4.737285 0.283190
H -6.194742 -4.099003 -0.080971
H -2.222717 6.023275 -0.719165
H -3.320713 5.092626 -1.780373
H -1.548975 4.831000 -1.864378


