%chk=000227722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227722

0 1
S -1.542566 1.515079 0.176555
S 1.653936 0.657947 1.092316
S 0.197466 2.067748 1.057980
S -2.119937 -0.100945 2.725445
S 2.087869 1.281331 -1.885042
O -3.710854 0.232526 0.797562
O 3.504506 -0.259092 -0.478221
N -5.567432 0.169897 -0.647751
N 5.131276 -1.779848 0.283805
C -4.234220 0.710084 -0.544234
C 3.984891 -1.030998 0.736598
C -5.609366 -1.318213 -0.719736
C -6.517350 0.713798 0.363795
C 6.283707 -0.927575 -0.124799
C 4.807001 -2.818234 -0.735023
C -2.524519 0.503580 1.276160
C 2.473444 0.545038 -0.492642
H -3.550664 0.297558 -1.311905
H -4.228939 1.816531 -0.506356
H 4.249330 -0.276300 1.502224
H 3.146431 -1.686628 1.042989
H -4.982157 -1.667597 -1.555860
H -6.642687 -1.640982 -0.926965
H -5.265434 -1.816478 0.202385
H -6.539059 1.813668 0.299681
H -6.269305 0.432368 1.401189
H -7.533314 0.351415 0.136970
H 6.084401 -0.310850 -1.017455
H 7.153769 -1.571674 -0.332370
H 6.562067 -0.256654 0.703864
H 4.030965 -3.494871 -0.341985
H 5.705359 -3.426453 -0.929710
H 4.451087 -2.403275 -1.693162


%chk=000227722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227722

0 1
S -1.614651 1.472615 0.114482
S 1.704956 0.547004 1.119533
S 0.223502 2.235378 1.153613
S -1.954592 0.155756 3.001662
S 1.981362 1.665127 -1.856225
O -3.765634 0.099415 1.029220
O 3.534661 -0.205879 -0.733768
N -5.749481 0.115672 -0.494173
N 5.316960 -1.745280 0.110994
C -4.446033 0.553494 -0.478731
C 4.166397 -1.140727 0.559525
C -6.022474 -1.320786 -0.696369
C -6.760701 0.851728 0.289816
C 6.544380 -0.936699 -0.025680
C 5.214262 -2.905119 -0.795796
C -2.563614 0.499092 1.478046
C 2.512510 0.659606 -0.624365
H -3.779952 0.035450 -1.182460
H -4.327755 1.646285 -0.459450
H 4.319512 -0.376429 1.334754
H 3.333426 -1.829521 0.756996
H -5.263318 -1.753661 -1.368715
H -7.016112 -1.447375 -1.161418
H -6.000511 -1.879195 0.260657
H -6.522656 1.928391 0.288507
H -6.795768 0.502924 1.341140
H -7.756459 0.712640 -0.166794
H 6.595055 -0.434670 -1.012401
H 7.430447 -1.585330 0.091480
H 6.570826 -0.163125 0.759557
H 4.314244 -3.492608 -0.549650
H 6.100444 -3.552312 -0.671561
H 5.146467 -2.589962 -1.856124


