%chk=000254317.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254317

0 1
S -1.828052 -1.021615 0.009935
O 3.779901 -2.588160 0.021105
O 5.017630 1.865419 -0.026796
N 2.757147 1.437278 -0.019448
N 4.403072 -0.367990 -0.002390
N 0.849489 -1.597766 0.017494
N 0.371109 0.650319 -0.008208
N -6.134019 -0.125191 1.202022
C 2.078437 -0.910277 0.007250
C 1.754099 0.475299 -0.007459
C 3.426643 -1.427247 0.010226
C 4.132574 1.032127 -0.016579
C -0.135489 -0.626678 0.006904
C 2.414691 2.879901 -0.032338
C 5.845781 -0.739454 0.000336
C -2.614398 0.626643 0.050265
C -4.068698 0.325976 0.003137
C -4.748259 0.211121 -1.220340
C -4.806250 0.147204 1.194881
C -6.115776 -0.069728 -1.221260
C -6.775089 -0.231274 0.008888
H 0.759884 -2.600874 0.029888
H 1.820498 3.123809 -0.930764
H 3.339142 3.489986 -0.038080
H 1.821023 3.140116 0.861939
H 5.951282 -1.841095 0.011140
H 6.348402 -0.323600 0.890748
H 6.347243 -0.341119 -0.898667
H -2.263578 1.244767 -0.803442
H -2.306609 1.179562 0.962706
H -4.213148 0.338825 -2.162352
H -4.325908 0.222394 2.178814
H -6.663286 -0.162872 -2.156868
H -7.848084 -0.452409 0.058014


%chk=000254317-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254317

0 1
S -1.787784 -1.327009 0.144392
O 3.952392 -2.626115 -0.060100
O 4.952397 1.992630 -0.081230
N 2.687222 1.381294 -0.003441
N 4.433985 -0.294241 -0.069520
N 0.978743 -1.733835 0.050775
N 0.381568 0.467100 0.075341
N -6.296249 0.254467 1.114322
C 2.170682 -0.994018 0.007591
C 1.767061 0.346833 0.025146
C 3.539291 -1.425819 -0.042011
C 4.075076 1.083916 -0.052858
C -0.063007 -0.820273 0.089218
C 2.243444 2.787984 0.018674
C 5.888454 -0.570058 -0.119744
C -2.582317 0.426182 0.238743
C -4.071831 0.299365 0.067103
C -4.665921 0.137020 -1.211346
C -4.937444 0.350732 1.191265
C -6.069534 0.036877 -1.312112
C -6.842398 0.098123 -0.128041
H 0.923900 -2.752396 0.055246
H 1.608976 3.000132 -0.858355
H 3.143216 3.419602 -0.003953
H 1.661774 2.987702 0.934264
H 6.012951 -1.662769 -0.131260
H 6.387582 -0.133018 0.760455
H 6.328224 -0.120610 -1.024962
H -2.095140 1.009403 -0.556949
H -2.297789 0.842766 1.216361
H -4.035957 0.088495 -2.106925
H -4.525292 0.478627 2.200305
H -6.560011 -0.085984 -2.282655
H -7.934861 0.020293 -0.163040


