%chk=000184699.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184699

0 1
S 5.606873 -0.324742 -0.139996
O 6.091437 -0.876885 1.382652
O 5.906695 1.079096 -0.160047
O 6.226144 -1.207751 -1.087240
O -0.854226 1.471866 1.160127
N 0.793508 1.261649 -1.095056
N -0.600305 1.026406 -1.058243
C 3.056860 0.439999 -0.609298
C 3.902094 -0.655304 0.037873
C 1.560365 0.181025 -0.371359
C -2.836572 0.882162 -0.089786
C -1.378117 1.156174 0.105120
C -4.828172 -0.314172 0.605295
C -3.456790 -0.046929 0.751303
C -3.569132 1.563004 -1.070531
C -5.561242 0.362370 -0.382649
C -4.933928 1.297542 -1.210498
C -5.490178 -1.302838 1.507087
H 3.341223 1.438002 -0.204871
H 3.248742 0.493607 -1.703769
H 3.636356 -1.647838 -0.391486
H 3.629945 -0.759893 1.115883
H 1.266405 -0.805423 -0.789950
H 1.328578 0.152302 0.717100
H 0.986723 2.170140 -0.622494
H -0.967412 0.682435 -1.946420
H -2.878364 -0.549620 1.527395
H -3.087171 2.302731 -1.708092
H -6.625471 0.163653 -0.502302
H -5.513232 1.825136 -1.968063
H 7.032066 -0.828102 1.593556
H -5.512995 -0.935818 2.544965
H -6.528551 -1.514514 1.220053
H -4.957658 -2.264670 1.516840


%chk=000184699-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184699

0 1
S 5.813386 -0.061238 -0.000419
O 6.350815 -1.644896 0.827405
O 6.046209 1.192208 0.994853
O 6.411475 -0.002833 -1.502943
O -0.921607 0.966479 1.285597
N 0.799478 1.369562 -0.887123
N -0.589128 1.070855 -1.004612
C 3.097254 0.597641 -0.445222
C 3.961069 -0.585736 -0.012143
C 1.612724 0.172261 -0.500989
C -2.870964 0.682165 -0.159199
C -1.409995 0.913958 0.111024
C -5.012800 -0.190521 0.707366
C -3.630824 0.072287 0.868134
C -3.509034 1.061342 -1.370672
C -5.628657 0.179360 -0.516184
C -4.885380 0.806537 -1.542540
C -5.811414 -0.839463 1.824106
H 3.221051 1.429590 0.275233
H 3.401614 0.966292 -1.441777
H 3.957033 -1.438361 -0.709236
H 3.792460 -0.915797 1.024682
H 1.465461 -0.596417 -1.280796
H 1.285289 -0.248667 0.473149
H 0.902481 2.108226 -0.170297
H -0.945332 1.013437 -1.958260
H -3.116780 -0.185052 1.801452
H -2.961838 1.589001 -2.160854
H -6.698004 -0.014936 -0.661559
H -5.383653 1.105210 -2.471284
H 7.347601 -1.632712 0.904021
H -5.883798 -0.169309 2.701441
H -6.838280 -1.081434 1.501025
H -5.333411 -1.774241 2.169720


