%chk=000271030.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271030

0 1
S -6.488540 0.902049 -0.241849
O 2.232872 0.682293 1.808140
O -7.348301 -0.235900 -0.494386
O -6.826969 1.897737 0.752793
N 3.391852 -0.413510 0.067035
N 3.158668 -1.500739 -0.774302
N 0.021225 -0.720157 0.209712
N -0.992869 -1.103776 0.818421
N -6.383626 1.748644 -1.734699
C 1.293716 -1.322809 0.668090
C 1.995640 -2.043924 -0.492830
C 2.300797 -0.175670 0.973583
C 4.593086 0.366296 -0.104473
C 1.410185 -3.209096 -1.179282
C 4.809642 1.479284 0.727012
C 5.536447 0.006420 -1.085256
C -4.875827 0.345205 0.030250
C -2.282316 -0.555115 0.464246
C -4.493736 -0.922017 -0.424132
C -3.961763 1.158810 0.707606
C -3.194104 -1.383743 -0.213199
C -2.654960 0.718435 0.925496
C 5.978572 2.226817 0.568443
C 6.696300 0.769242 -1.223766
C 6.922860 1.878300 -0.401388
H 1.218983 -1.994198 1.565639
H 0.529402 -2.913797 -1.775307
H 1.085338 -3.984171 -0.468099
H 2.124838 -3.681100 -1.876673
H 4.080977 1.766309 1.489716
H 5.366649 -0.856183 -1.730941
H -5.219293 -1.563396 -0.940337
H -4.268255 2.145410 1.077098
H -2.894435 -2.371554 -0.559609
H -1.936309 1.351161 1.447963
H 6.150667 3.090663 1.210976
H 7.430541 0.495541 -1.981438
H 7.830204 2.466900 -0.517015
H -6.513210 2.758036 -1.726278
H -6.861947 1.359001 -2.543960


%chk=000271030-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271030

0 1
S -6.477831 1.323968 -0.107349
O 2.125379 0.178193 1.935372
O -7.362743 0.829690 1.166984
O -6.284911 2.884787 -0.528762
N 3.402972 -0.396664 -0.008614
N 3.232004 -1.224556 -1.171812
N 0.010144 -0.724027 -0.145997
N -0.970756 -1.191445 0.568183
N -7.159133 0.465688 -1.585743
C 1.285802 -1.411472 0.165301
C 2.044435 -1.791147 -1.098897
C 2.286709 -0.427281 0.849041
C 4.633216 0.320203 0.136749
C 1.518989 -2.693484 -2.169019
C 4.849307 1.165867 1.256884
C 5.636483 0.174661 -0.856340
C -4.760501 0.562091 0.064818
C -2.235237 -0.534956 0.341731
C -4.623369 -0.562266 0.892490
C -3.693935 1.178259 -0.615651
C -3.331868 -1.112185 1.030564
C -2.411623 0.618217 -0.473343
C 6.073408 1.859194 1.368874
C 6.851452 0.876909 -0.724480
C 7.079821 1.722472 0.385962
H 1.115415 -2.276938 0.839175
H 0.596891 -2.269482 -2.609757
H 1.254498 -3.686419 -1.759384
H 2.268084 -2.823767 -2.965948
H 4.075270 1.274221 2.019300
H 5.451770 -0.478537 -1.711589
H -5.487238 -0.970275 1.425847
H -3.866718 2.079987 -1.211602
H -3.149616 -1.983163 1.667239
H -1.542005 1.056273 -0.971528
H 6.236204 2.510884 2.234333
H 7.622061 0.761556 -1.494694
H 8.025967 2.265379 0.483050
H -7.361264 1.178821 -2.306175
H -7.994531 -0.067556 -1.292214


