%chk=000290583.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290583

0 1
S -2.902191 -0.180346 0.861434
O -0.311908 0.113114 1.558283
O -4.311145 -0.442449 0.583386
O -2.343806 -0.893807 2.008225
N -2.759601 1.539355 1.025438
C 0.345383 -0.125931 0.328634
C 1.489569 -1.135439 0.477819
C 1.086120 1.170320 -0.019913
C -0.644824 -0.521068 -0.765133
C 2.739162 -0.492970 0.226176
C 2.490191 0.925245 -0.086244
C -2.030503 -0.554825 -0.600611
C 1.431039 -2.473150 0.815597
C 0.565230 2.431182 -0.232847
C 3.924346 -1.206452 0.311210
C 3.365118 1.956004 -0.390382
C -0.085982 -0.849912 -2.016715
C -2.843702 -0.929348 -1.686862
C 2.639962 -3.193491 0.903144
C 1.461565 3.475226 -0.540076
C 3.861342 -2.571330 0.653990
C 2.832574 3.240007 -0.620829
C -0.899143 -1.215352 -3.086025
C -2.289772 -1.258667 -2.921151
C -3.968515 2.266574 0.551954
C -2.306878 2.008102 2.359186
H 0.480552 -2.968397 1.010471
H -0.508820 2.613467 -0.153719
H 4.882994 -0.729363 0.123808
H 4.437201 1.786739 -0.446089
H 0.997903 -0.815458 -2.147125
H -0.488291 -0.737009 2.076398
H -3.936679 -0.970484 -1.560951
H 2.610849 -4.248954 1.170730
H 1.070529 4.476707 -0.712770
H 4.786025 -3.143367 0.726452
H 3.509736 4.058913 -0.860755
H -0.455318 -1.468229 -4.049628
H -2.932019 -1.548436 -3.751101
H -4.176912 1.996732 -0.497886
H -3.782732 3.352780 0.581813
H -4.880186 2.053429 1.137591
H -1.325008 1.543967 2.596228
H -3.004137 1.781523 3.180936
H -2.141518 3.097744 2.335809


%chk=000290583-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290583

0 1
S -2.795170 -0.526861 0.940121
O -0.058467 0.954954 1.396769
O -3.982049 -1.605866 0.657163
O -1.783721 -0.882815 2.204616
N -3.719807 1.178292 1.093286
C 0.560191 0.363658 0.212509
C 1.438581 -0.872848 0.535784
C 1.615998 1.371648 -0.273187
C -0.475947 0.013105 -0.892076
C 2.808870 -0.587007 0.267427
C 2.917850 0.801868 -0.226885
C -1.834310 -0.354667 -0.731467
C 1.047906 -2.122092 1.043931
C 1.420000 2.699786 -0.675986
C 3.800763 -1.561695 0.498906
C 4.043526 1.566196 -0.599563
C -0.006040 -0.009368 -2.238937
C -2.686857 -0.702834 -1.799913
C 2.047729 -3.100996 1.279556
C 2.550509 3.471491 -1.048245
C 3.409091 -2.824393 1.005547
C 3.849470 2.906411 -1.012830
C -0.829439 -0.350296 -3.327107
C -2.181556 -0.697384 -3.113860
C -5.070877 0.930187 1.665556
C -2.914028 2.147628 1.883808
H -0.000701 -2.337232 1.274631
H 0.415345 3.135008 -0.696932
H 4.856699 -1.350992 0.295822
H 5.051952 1.138911 -0.567757
H 1.039866 0.258163 -2.418142
H -0.514938 0.226181 1.934928
H -3.718252 -1.003384 -1.590843
H 1.761754 -4.079895 1.679598
H 2.419995 4.512713 -1.363082
H 4.166293 -3.594432 1.191273
H 4.712406 3.515549 -1.304692
H -0.414599 -0.346533 -4.340661
H -2.834647 -0.966695 -3.949719
H -5.503235 0.025492 1.207737
H -5.689955 1.800865 1.379538
H -5.077515 0.824631 2.770566
H -1.878866 2.187489 1.507476
H -2.897552 1.925581 2.971590
H -3.388464 3.135374 1.731643


