%chk=000274297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274297

0 1
S -3.678286 2.274855 -0.001439
S 3.677967 2.275422 0.001328
O -4.661213 -2.455388 0.002181
O 4.661647 -2.454662 -0.002147
O -2.430334 -2.256706 0.000878
O 2.430736 -2.256337 -0.000753
N -5.132041 0.223814 -0.000143
N 5.132046 0.224613 0.000108
N -5.254546 1.456940 -0.000831
N 5.254355 1.457757 0.000730
C -1.396932 0.706949 -0.000150
C 1.396861 0.707157 0.000119
C -0.697676 0.691905 -1.218346
C 0.697839 0.692006 -1.218211
C -0.697908 0.692281 1.218185
C 0.697606 0.692389 1.218319
C -2.853758 0.746664 -0.000291
C 2.853681 0.747100 0.000249
C -3.790619 -0.266238 0.000322
C 3.790703 -0.265651 -0.000322
C -3.510744 -1.713088 0.001270
C 3.511058 -1.712546 -0.001197
H -1.241652 0.668439 -2.164059
H 1.242005 0.668621 -2.163817
H -1.242070 0.669113 2.163798
H 1.241584 0.669298 2.164040
H -4.467298 -3.437153 0.002571
H 4.467890 -3.436458 -0.002490


%chk=000274297-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274297

0 1
S -3.430747 1.646273 -1.769672
S 3.432515 1.647553 1.766449
O -5.044774 -1.904550 1.311665
O 5.041368 -1.912812 -1.306461
O -2.780173 -1.627419 1.739374
O 2.779146 -1.625750 -1.740765
N -5.178188 0.117941 -0.405821
N 5.178798 0.114537 0.406974
N -5.343914 0.963011 -1.318289
N 5.344305 0.961792 1.317800
C -1.409428 0.473091 -0.238394
C 1.410488 0.473171 0.236942
C -0.483312 0.488946 -1.320410
C 0.901800 0.471210 -1.091252
C -0.900591 0.467974 1.089777
C 0.484574 0.485812 1.319008
C -2.861001 0.532191 -0.515978
C 2.862168 0.532056 0.514556
C -3.913690 -0.197332 0.107395
C 3.914198 -0.199960 -0.106537
C -3.811870 -1.275447 1.117730
C 3.810691 -1.278370 -1.116407
H -0.855795 0.492588 -2.350166
H 1.586594 0.464135 -1.940546
H -1.585170 0.458655 1.939182
H 0.857075 0.487254 2.348757
H -4.927817 -2.618765 1.995712
H 4.923649 -2.626689 -1.990722


