%chk=000289142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289142

0 1
S -3.834964 -2.586004 -0.525082
S 1.504565 1.519840 -0.377981
O 0.511925 0.108558 -0.061478
O 1.310492 2.442153 0.704217
O 1.300961 1.900744 -1.745643
N -0.798569 0.539845 -0.098495
C -1.380338 -1.838028 0.412505
C -1.688682 -0.386203 0.134647
C -3.112753 0.026340 0.124549
C -2.026418 -2.727545 -0.631352
C -4.129525 -0.892837 -0.171950
C -3.471101 1.355865 0.420117
C -5.475048 -0.508772 -0.178857
C 2.986631 0.672450 -0.197659
C -4.811096 1.744375 0.416380
C -5.812962 0.813342 0.116957
C 5.411073 -0.706516 0.095179
C 3.594539 0.076556 -1.310046
C 3.596014 0.582588 1.060357
C 4.799326 -0.609786 -1.167786
C 4.800783 -0.102330 1.209308
C 6.706901 -1.427786 0.248573
H -0.276598 -1.998146 0.421931
H -1.721858 -2.098771 1.438997
H -1.688550 -2.464601 -1.653803
H -1.779063 -3.795423 -0.470842
H -2.691538 2.088375 0.649769
H -6.258660 -1.230003 -0.414740
H -5.076560 2.775706 0.644630
H -6.858290 1.120384 0.112848
H 3.126254 0.155413 -2.298717
H 3.129102 1.058387 1.931183
H 5.267971 -1.068329 -2.036942
H 5.270569 -0.166263 2.189375
H 6.825273 -1.877626 1.244597
H 6.829864 -2.237863 -0.484243
H 7.554531 -0.737588 0.106995


%chk=000289142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289142

0 1
S -4.027273 -2.796978 0.178808
S 1.600921 1.701292 -0.145678
O 0.431391 0.111616 0.109662
O 1.452959 2.674520 1.137561
O 1.386881 2.258671 -1.649935
N -0.918611 0.568683 0.062796
C -1.361232 -1.883188 0.092929
C -1.796539 -0.426315 0.048255
C -3.230828 -0.031582 0.037511
C -2.324393 -2.829561 -0.630742
C -4.292947 -0.983074 0.117146
C -3.578146 1.352672 -0.015021
C -5.641571 -0.550475 0.168941
C 3.189614 0.717147 -0.035286
C -4.914850 1.778423 0.033914
C -5.955782 0.821328 0.135223
C 5.577242 -0.730049 0.123974
C 3.726555 0.193665 -1.222464
C 3.779763 0.551560 1.228097
C 4.933103 -0.532776 -1.127016
C 4.985417 -0.179677 1.292586
C 6.889208 -1.486858 0.206654
H -0.349760 -1.955115 -0.352126
H -1.260302 -2.195313 1.152070
H -2.445240 -2.558048 -1.692733
H -1.989115 -3.876483 -0.556807
H -2.763494 2.079929 -0.079116
H -6.441473 -1.297243 0.219592
H -5.148938 2.847345 -0.004269
H -7.002926 1.140600 0.174116
H 3.229203 0.361361 -2.182899
H 3.322119 0.988078 2.121299
H 5.378362 -0.952199 -2.036150
H 5.470834 -0.325552 2.264089
H 7.003018 -1.998426 1.177875
H 6.974300 -2.242511 -0.593058
H 7.746732 -0.794966 0.097701


