%chk=000253868.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253868

0 1
S 3.581266 0.423715 0.056896
O -1.791976 2.758902 -0.439119
O 4.062344 -0.038474 -1.217558
O 3.831293 1.797301 0.449960
O -3.621408 -1.440198 0.180082
N -1.325197 -1.315956 0.234004
N 0.968094 1.403181 -0.146050
N -2.709546 0.666065 -0.127922
N 1.142609 -0.847564 0.230448
C -0.330236 0.899318 -0.098876
C -0.198130 -0.505265 0.132907
C 1.812246 0.336818 0.049861
C -1.606378 1.576913 -0.244693
C -2.629900 -0.743125 0.098126
C -1.180875 -2.776467 0.446765
C -4.089818 1.212341 -0.260689
C 4.059875 -0.661524 1.319547
H 1.216623 2.375911 -0.279005
H -0.570942 -3.223330 -0.359026
H -2.177400 -3.260640 0.449750
H -0.686726 -2.975087 1.413850
H 4.064114 -0.201970 2.320562
H 3.416645 -1.557033 1.405621
H 5.076911 -1.064475 1.177929
H -4.050335 2.306336 -0.423016
H -4.673482 1.007315 0.653709
H -4.608272 0.743392 -1.115263


%chk=000253868-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253868

0 1
S 3.623350 0.307371 -0.069184
O -1.709753 2.813436 -0.275816
O 4.223297 -0.578653 -1.292277
O 3.806423 1.940028 -0.006262
O -3.749434 -1.425021 0.125966
N -1.404513 -1.360694 0.137687
N 0.976300 1.267500 -0.105739
N -2.715030 0.669180 -0.076078
N 1.053793 -1.005981 0.126463
C -0.346763 0.826543 -0.075377
C -0.270693 -0.572545 0.067890
C 1.752482 0.138727 0.020011
C -1.589680 1.559697 -0.155017
C -2.685609 -0.751379 0.067144
C -1.297213 -2.827635 0.272483
C -4.070343 1.266688 -0.150270
C 4.196778 -0.475286 1.577476
H 1.329102 2.225739 -0.195817
H -0.711040 -3.240475 -0.565037
H -2.317401 -3.237182 0.261539
H -0.796980 -3.087297 1.220592
H 3.770112 0.139092 2.381602
H 3.819352 -1.506985 1.574941
H 5.294216 -0.426403 1.547047
H -3.945008 2.352398 -0.270965
H -4.632740 1.042867 0.770647
H -4.621608 0.842670 -1.004850


