%chk=000253888.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253888

0 1
S 4.253424 0.017375 0.071268
O 4.984689 -0.296634 1.563804
O 4.285184 1.443829 -0.093483
O 4.938094 -0.826730 -0.868938
N -2.250275 0.183355 0.077375
C -2.730217 -1.030071 -0.664246
C -3.255616 1.295273 -0.007098
C -4.055472 -1.521905 -0.058905
C -4.590247 0.838675 0.605992
C -5.119899 -0.418385 -0.094714
C -0.917570 0.636251 -0.443548
C 0.177786 -0.228691 0.206856
C 1.574708 0.254365 -0.202944
C 2.667068 -0.586845 0.461037
H -1.956976 -1.821458 -0.557321
H -2.857803 -0.845061 -1.752675
H -3.419266 1.649091 -1.047455
H -2.858915 2.155792 0.574517
H -3.884296 -1.838714 0.989653
H -4.405000 -2.416609 -0.604427
H -5.327999 1.658574 0.543031
H -4.444013 0.628638 1.684877
H -5.394258 -0.185912 -1.140823
H -6.047119 -0.766602 0.396468
H -0.841243 0.592458 -1.550608
H -0.758721 1.700168 -0.160367
H 0.058389 -0.194133 1.309421
H 0.038142 -1.291434 -0.069617
H 1.697611 1.325649 0.073880
H 1.673210 0.211984 -1.307637
H 2.505740 -0.606924 1.565537
H 2.552925 -1.655074 0.169045
H 5.937334 -0.156395 1.627043


%chk=000253888-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253888

0 1
S 4.383864 0.158356 0.092183
O 5.273907 -1.131732 1.111102
O 4.720373 1.634829 0.664607
O 4.593229 -0.142780 -1.484185
N -2.319026 0.213586 0.059907
C -2.734875 -1.077618 -0.548881
C -3.340479 1.270568 -0.170209
C -4.081339 -1.559715 0.027643
C -4.706096 0.861072 0.418531
C -5.175553 -0.487362 -0.172360
C -0.963559 0.636254 -0.358907
C 0.153623 -0.140368 0.376746
C 1.557467 0.343158 -0.070419
C 2.641923 -0.432019 0.673436
H -1.953778 -1.834623 -0.353920
H -2.827839 -0.977293 -1.664142
H -3.464901 1.481917 -1.266133
H -2.986835 2.203591 0.307339
H -3.953865 -1.762648 1.108474
H -4.369758 -2.509765 -0.461952
H -5.446830 1.657916 0.214050
H -4.605713 0.768808 1.517317
H -5.375716 -0.364195 -1.257165
H -6.124663 -0.807664 0.297091
H -0.816260 0.535457 -1.466079
H -0.854574 1.712227 -0.120985
H 0.018863 0.004414 1.465166
H 0.057347 -1.225624 0.179169
H 1.660238 1.426666 0.132910
H 1.672105 0.196388 -1.161816
H 2.675070 -0.249577 1.758908
H 2.665923 -1.509702 0.447660
H 6.257129 -0.988624 0.999911


