%chk=000225686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225686

0 1
S 5.754537 -0.420537 -0.129862
O 6.349195 0.677598 1.006485
O 6.160016 -1.704641 0.381894
O 6.216764 0.041540 -1.408706
N -5.003203 1.345055 0.537896
N -0.919837 0.312343 -0.145811
N -0.035065 0.587936 0.685990
C -3.297962 -0.302552 -0.151193
C -4.654626 0.084844 0.058589
C -2.286771 0.669747 0.170719
C 4.070678 -0.157609 0.058439
C -3.023491 -1.609223 -0.657345
C 1.341364 0.275832 0.375578
C -5.709917 -0.840838 -0.230115
C 3.427776 0.822628 -0.707040
C 3.345041 -0.924883 0.979774
C -2.642699 1.911928 0.652239
C 2.058069 1.043792 -0.558100
C 1.976880 -0.716068 1.145152
C -4.052966 -2.476806 -0.927652
C -5.408191 -2.089894 -0.709354
C -4.034544 2.210132 0.814434
H -1.986210 -1.899602 -0.833442
H 3.995962 1.414107 -1.436765
H 3.850698 -1.699296 1.571056
H -6.738939 -0.518622 -0.057437
H 1.551790 1.799877 -1.158294
H 1.407676 -1.306146 1.864262
H -1.898968 2.663525 0.913165
H -3.851366 -3.475089 -1.315999
H -6.199255 -2.806448 -0.933499
H -4.335430 3.197674 1.190902
H 7.247792 0.521696 1.328142


%chk=000225686-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225686

0 1
S 5.849545 -0.521742 0.058625
O 6.113509 0.980937 -1.001380
O 6.676368 -0.336222 1.436421
O 6.051118 -1.841121 -0.855645
N -5.048645 0.774001 1.199573
N -0.915541 -0.008071 0.319060
N -0.035790 0.498511 1.144140
C -3.283127 -0.253411 -0.234590
C -4.671135 0.029256 0.089848
C -2.276791 0.279315 0.654772
C 4.025549 -0.211472 0.352835
C -2.984840 -1.030187 -1.397963
C 1.327147 0.210856 0.804627
C -5.707707 -0.474020 -0.761226
C 3.109089 -0.766216 -0.560861
C 3.663341 0.541689 1.480544
C -2.679317 1.031948 1.774539
C 1.740190 -0.551324 -0.326496
C 2.287067 0.748863 1.702887
C -4.018559 -1.506996 -2.208696
C -5.387202 -1.228461 -1.890773
C -4.066941 1.248359 2.000132
H -1.937980 -1.238843 -1.633665
H 3.463443 -1.355239 -1.412552
H 4.424918 0.934646 2.160515
H -6.741372 -0.242447 -0.487774
H 0.978982 -0.955794 -0.998833
H 1.931307 1.325583 2.561717
H -1.926290 1.439125 2.454149
H -3.783537 -2.101304 -3.098509
H -6.182009 -1.611693 -2.539602
H -4.395710 1.831694 2.867977
H 7.075721 0.991781 -1.279693


