%chk=000290203.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290203

0 1
S -5.605497 0.985228 0.751890
O 4.335673 -2.276406 0.500885
N 3.357784 1.406942 -0.647158
N -1.122951 -1.237257 -0.065896
N -1.237315 0.495959 1.558470
N -3.311447 1.645836 2.086244
C 3.584821 0.403247 0.445170
C 2.571822 -0.707771 0.335847
C 3.838421 0.870949 -1.965671
C 4.007956 2.718891 -0.316409
C 1.211093 -0.434377 0.205267
C 0.281780 -1.490864 0.129855
C 2.978110 -2.061735 0.381930
C 3.215851 1.669468 -3.111867
C 3.209748 3.439777 0.770832
C 0.703410 -2.829225 0.186974
C -3.265857 -0.110421 0.352444
C 2.064639 -3.118652 0.308054
C -1.868737 -0.287744 0.611744
C -4.193514 -0.736077 -0.578321
C -3.909848 0.877611 1.146665
C -5.461495 -0.254953 -0.468857
C -3.796316 -1.770332 -1.569529
C -1.974440 1.415948 2.242270
H 3.444595 0.907554 1.431833
H 4.619445 -0.012236 0.450943
H 4.946001 0.870900 -2.053223
H 3.514562 -0.191819 -2.045070
H 5.069163 2.609021 -0.005719
H 4.010076 3.343192 -1.238957
H 0.877762 0.609960 0.160994
H 2.125981 1.739500 -2.989837
H 3.597537 2.695732 -3.153583
H 3.417946 1.194338 -4.076626
H 2.144025 3.486299 0.505770
H 3.273192 2.927015 1.737441
H 3.567905 4.464567 0.908513
H -1.622064 -1.896869 -0.668126
H -0.015563 -3.644932 0.145632
H 2.400927 -4.150161 0.350345
H -6.327740 -0.548283 -1.035974
H -3.221243 -1.319203 -2.394909
H -3.189911 -2.570348 -1.119833
H -4.669349 -2.260554 -2.027238
H 4.550483 -3.238979 0.550151
H -1.437419 2.021966 2.990743


%chk=000290203-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290203

0 1
S -5.552920 1.256293 -0.520890
O 4.412955 -2.644263 0.235227
N 3.399871 1.457727 -0.297206
N -1.062390 -1.226613 -0.108664
N -1.023284 1.142253 -0.315333
N -3.054747 2.473635 -0.517164
C 3.833598 0.110148 0.134543
C 2.718502 -0.931145 0.082481
C 3.270734 1.556786 -1.777879
C 4.221778 2.544940 0.294494
C 1.362623 -0.549992 0.004641
C 0.331514 -1.524540 -0.027385
C 3.042089 -2.311756 0.139991
C 2.293813 2.661423 -2.223786
C 3.898431 2.806150 1.778337
C 0.676133 -2.901681 0.026955
C -3.186505 -0.001627 -0.306719
C 2.025683 -3.292801 0.112757
C -1.736798 -0.025286 -0.242372
C -4.200047 -1.052150 -0.259589
C -3.744617 1.305104 -0.445217
C -5.478945 -0.534900 -0.361477
C -3.953396 -2.541664 -0.117091
C -1.706126 2.314685 -0.446791
H 4.196588 0.174311 1.178337
H 4.702754 -0.265847 -0.457993
H 4.269546 1.706992 -2.261911
H 2.887765 0.585295 -2.140391
H 5.317328 2.341505 0.175178
H 4.013666 3.468119 -0.275846
H 1.118014 0.511526 -0.033699
H 1.293070 2.467604 -1.799943
H 2.620421 3.664844 -1.894799
H 2.213746 2.681943 -3.326904
H 2.828602 3.051612 1.894301
H 4.115088 1.926987 2.412250
H 4.502334 3.649866 2.162129
H -1.660673 -2.052113 -0.071478
H -0.106353 -3.671236 0.000894
H 2.281410 -4.359359 0.157694
H -6.414893 -1.092220 -0.354154
H -3.361913 -2.948046 -0.961560
H -3.437611 -2.788560 0.832009
H -4.909534 -3.091428 -0.109047
H 4.533234 -3.625974 0.246516
H -1.100538 3.224155 -0.499341


