%chk=000286039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286039

0 1
S -2.208897 2.080379 0.977783
O 2.590069 2.505369 1.028703
O 2.068305 -0.265968 -2.639546
O -5.990461 -1.609070 0.943561
N 2.111612 1.354714 -0.947324
N 0.021665 2.611975 -0.535389
N -1.264987 0.585908 -0.988057
C 3.631550 0.334311 0.499895
C 3.446686 -0.533274 -0.613577
C 1.088709 2.283019 -1.505957
C 2.767045 1.546906 0.319126
C 2.471535 0.093930 -1.569340
C 4.486307 0.004203 1.529131
C 4.114109 -1.735413 -0.700521
C -0.992445 1.680322 -0.314222
C -3.123496 0.654333 0.532416
C -2.472644 -0.009818 -0.539185
C 5.174304 -1.230028 1.441959
C 4.992137 -2.078085 0.356106
C -4.307030 0.187136 1.091262
C -3.028607 -1.187559 -1.077573
C -4.833637 -0.985203 0.535810
C -4.208736 -1.672825 -0.538022
C -6.738574 -1.007923 2.028181
H 1.590594 3.245220 -1.783074
H 0.651198 1.805571 -2.426052
H 0.365082 3.102693 0.305145
H 4.630444 0.666150 2.384126
H 3.973578 -2.404635 -1.550683
H 5.855614 -1.511704 2.246655
H 5.529547 -3.026841 0.307859
H -4.788138 0.709641 1.910230
H -2.526384 -1.693343 -1.903714
H -4.677619 -2.578779 -0.920570
H -6.137578 -0.992121 2.941847
H -7.584610 -1.701258 2.125991
H -7.082246 -0.008733 1.745419


%chk=000286039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286039

0 1
S -2.256077 2.033299 1.161145
O 2.766302 2.576707 0.962726
O 2.009611 -0.507832 -2.514392
O -6.248505 -1.568524 0.853551
N 2.126164 1.228383 -0.881609
N 0.056727 2.436555 -0.387461
N -1.375960 0.604357 -0.972952
C 3.815145 0.363807 0.465720
C 3.575683 -0.568280 -0.574856
C 1.068616 2.130306 -1.389043
C 2.892514 1.526888 0.277476
C 2.496654 -0.027144 -1.466069
C 4.782593 0.126706 1.453515
C 4.296623 -1.768303 -0.661152
C -1.051917 1.630853 -0.218981
C -3.234289 0.620530 0.556537
C -2.592426 0.017407 -0.570905
C 5.516407 -1.085617 1.375536
C 5.277001 -2.018495 0.334614
C -4.449311 0.143193 1.082084
C -3.204644 -1.103812 -1.181794
C -5.038010 -0.979998 0.447287
C -4.418194 -1.596339 -0.674821
C -6.939078 -0.972590 1.997464
H 1.537339 3.075472 -1.712135
H 0.600874 1.620405 -2.246417
H 0.320420 3.088635 0.352552
H 4.958837 0.853805 2.252293
H 4.102786 -2.481105 -1.468664
H 6.279481 -1.306674 2.129380
H 5.858401 -2.946025 0.300766
H -4.916944 0.623924 1.944637
H -2.719335 -1.571739 -2.042942
H -4.912978 -2.460063 -1.128042
H -6.318814 -1.020720 2.914308
H -7.846848 -1.578494 2.133673
H -7.220846 0.079722 1.795371


