%chk=000245240.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245240

0 1
S -1.285980 -1.895294 -0.384329
S -3.143082 0.719587 3.055903
O -1.509983 -3.186681 0.224449
O -1.664125 -1.638249 -1.753692
N -2.161834 -0.823279 0.656219
C 0.352148 -1.405229 -0.149879
C 2.267789 -0.015671 -0.712559
C 3.032743 -0.662663 0.294876
C 0.911179 -0.413124 -0.919283
C 1.120981 -2.060387 0.854335
C 2.426393 -1.699067 1.073343
C -2.486975 0.521267 0.390103
C 2.873094 1.018273 -1.497685
C 4.391879 -0.262099 0.501757
C 4.177135 1.381319 -1.277906
C 4.944917 0.732178 -0.264882
C -2.910987 1.364315 1.442810
C -2.379316 1.065041 -0.911114
C -3.213854 2.706949 1.207646
C -2.675823 2.406777 -1.128264
C -3.087686 3.237222 -0.076154
H 0.333877 0.086755 -1.706437
H 0.657554 -2.863369 1.439179
H 3.021902 -2.196874 1.838231
H -2.548655 -1.213974 1.537100
H 2.277402 1.506522 -2.269308
H 4.972668 -0.762409 1.275794
H 4.647905 2.166090 -1.868965
H 5.979294 1.043405 -0.114776
H -2.121765 0.428956 -1.764647
H -3.549386 3.343086 2.030031
H -2.596060 2.815968 -2.136893
H -3.317536 4.282520 -0.263309
H -1.907316 0.928639 3.559504


%chk=000245240-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245240

0 1
S -1.169083 -1.623417 0.005591
S -4.970006 -0.172381 1.988881
O -1.375633 -3.094101 0.673509
O -1.710592 -1.258027 -1.487735
N -1.903020 -0.420855 1.387991
C 0.661442 -1.188415 0.048205
C 2.588672 -0.211142 -1.048587
C 3.398377 -0.605715 0.089017
C 1.188178 -0.519928 -1.046756
C 1.421179 -1.604131 1.175066
C 2.783947 -1.304652 1.183010
C -2.496102 0.781139 0.929122
C 3.205992 0.475060 -2.145825
C 4.797247 -0.292833 0.082720
C 4.571805 0.765275 -2.121070
C 5.372303 0.379257 -0.998484
C -3.875032 1.080862 1.165437
C -1.691542 1.756688 0.272598
C -4.422710 2.309118 0.744169
C -2.248927 2.973632 -0.158684
C -3.616782 3.256965 0.072924
H 0.547176 -0.255317 -1.895797
H 0.942954 -2.150353 1.992904
H 3.403475 -1.608008 2.034461
H -2.609451 -1.050122 1.831779
H 2.590961 0.765697 -3.005224
H 5.412161 -0.590717 0.939962
H 5.038199 1.288791 -2.962336
H 6.442256 0.613384 -0.993934
H -0.627606 1.547262 0.121912
H -5.480680 2.513596 0.936017
H -1.615764 3.707980 -0.668107
H -4.051775 4.204553 -0.260707
H -4.673123 0.187353 3.299169


