%chk=000256159.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256159

0 1
S 5.815417 -0.532236 -0.212393
S -2.291272 1.691835 0.077397
O 6.075692 -1.496006 0.838011
O 6.157905 -0.816082 -1.591464
N 6.719782 0.868934 0.210470
N 0.222109 1.433521 0.152568
N -3.214794 -0.850440 0.404003
N -4.715843 0.892270 -0.396162
N -0.795558 0.769959 -0.074878
N -3.978635 -3.037292 0.805322
N -6.968146 0.439430 -0.892339
C 4.174213 -0.013561 -0.122643
C 3.547556 0.516216 -1.256564
C 3.470650 -0.133125 1.081637
C 1.529228 0.830984 0.024998
C 2.220574 0.941617 -1.194168
C 2.143069 0.285811 1.166456
C -4.270767 -1.761683 0.363763
C -5.755167 -0.031994 -0.429573
C -5.564262 -1.381836 -0.054472
C -3.514253 0.405420 0.013188
H 4.094239 0.587025 -2.204994
H 3.957225 -0.570343 1.962204
H 1.727192 1.352526 -2.074405
H 1.588583 0.192158 2.100046
H 7.236851 0.861107 1.086590
H 7.290127 1.308092 -0.508466
H -6.376157 -2.093325 -0.087114
H -3.018915 -3.285094 1.005309
H -4.621953 -3.791126 0.644518
H -7.800622 -0.113153 -0.799134
H -7.083568 1.425792 -1.076409


%chk=000256159-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256159

0 1
S 5.761200 -0.571092 0.052437
S -2.472114 1.602755 1.201667
O 6.693595 -0.231064 1.343645
O 5.640796 -2.056028 -0.607572
N 6.315943 0.556625 -1.292574
N 0.151189 1.423410 1.338714
N -3.076289 -0.826301 0.017633
N -4.804482 0.883503 0.145708
N -0.833371 0.836881 0.748412
N -3.476855 -2.913296 -0.939046
N -6.974071 0.513663 -0.626048
C 4.016466 0.029971 0.423276
C 2.951743 -0.577974 -0.266938
C 3.855792 1.038093 1.386289
C 1.444665 0.891576 0.976909
C 1.645601 -0.140164 0.016245
C 2.542425 1.472497 1.660695
C -3.975632 -1.674328 -0.600861
C -5.700829 0.018256 -0.449607
C -5.318919 -1.289483 -0.852849
C -3.558246 0.389374 0.334623
H 3.149001 -1.381612 -0.983588
H 4.721272 1.449828 1.914112
H 0.777199 -0.575878 -0.486904
H 2.343070 2.255335 2.398249
H 7.153608 1.062638 -0.960319
H 6.488455 -0.011301 -2.138547
H -6.028878 -1.970730 -1.330284
H -2.506800 -3.114154 -0.705346
H -4.052660 -3.621777 -1.384028
H -7.708768 -0.037253 -1.059767
H -7.163610 1.463428 -0.313034


