%chk=000201231.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201231

0 1
S 4.561144 0.012679 0.093784
O 5.032057 1.381504 0.234155
O 4.999033 -0.993728 1.044819
N -3.548411 0.756394 0.056879
N -2.176275 -1.042279 -0.320006
N -4.874289 1.079590 0.370543
N -4.788244 -1.164449 -0.326238
C 0.026052 0.085205 0.019637
C -1.438886 0.111027 0.001764
C 2.824123 0.035621 0.062320
C -2.265784 1.226368 0.285408
C 0.755766 1.255985 -0.254963
C 0.705695 -1.107799 0.322772
C -3.467633 -0.674630 -0.260253
C 2.151363 1.225425 -0.226444
C 2.101112 -1.125107 0.350242
C 4.992010 -0.542541 -1.514644
C -5.579875 -0.141858 -0.024505
H -2.008538 2.220218 0.594579
H 0.239722 2.183267 -0.493841
H 0.135688 -2.016661 0.533835
H 2.719145 2.143165 -0.420773
H 2.625310 -2.050571 0.613196
H -5.202344 1.985079 0.013993
H 4.639414 0.119774 -2.314605
H 6.082794 -0.605267 -1.650218
H 4.615193 -1.546316 -1.746463
H -6.664944 -0.172498 0.037126


%chk=000201231-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201231

0 1
S 4.659154 -0.088748 0.118319
O 5.189826 1.425756 0.449324
O 5.088347 -1.387225 1.017833
N -3.614497 0.747261 -0.004213
N -2.234250 -1.054102 0.168358
N -4.960565 1.067461 -0.031570
N -4.806356 -1.209800 0.193791
C -0.023303 0.108340 0.047605
C -1.495349 0.138474 0.046579
C 2.767986 -0.021677 0.058623
C -2.336642 1.282837 -0.064336
C 0.752797 1.288587 -0.125342
C 0.637735 -1.137068 0.243594
C -3.522268 -0.665348 0.135152
C 2.161046 1.232532 -0.118127
C 2.044852 -1.210106 0.256711
C 5.187934 -0.472871 -1.684636
C -5.635560 -0.163298 0.094927
H -2.121501 2.341187 -0.161429
H 0.262194 2.258232 -0.263571
H 0.023277 -2.029861 0.390529
H 2.777167 2.132785 -0.215463
H 2.568048 -2.153499 0.445500
H -5.309172 2.020105 -0.110026
H 4.818014 0.350690 -2.310347
H 6.285818 -0.510176 -1.652120
H 4.746806 -1.443530 -1.948994
H -6.721142 -0.209343 0.105426


