%chk=000250966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250966

0 1
S 1.142511 0.593268 0.764286
O 0.304839 -0.127577 1.708604
O 1.692930 1.877582 1.154344
N 0.275966 0.871182 -0.699815
C -0.468106 2.156183 -0.775919
C -0.367375 -0.299063 -1.349967
C -1.690406 2.254396 0.152251
C -1.511471 -0.950604 -0.556110
C -2.419844 3.587973 -0.042613
C -2.079770 -2.162300 -1.300376
C -3.641797 3.696598 0.880878
C -3.214211 -2.823215 -0.503782
C 2.418317 -0.463000 0.249036
C -4.375442 5.022351 0.691960
C -3.785629 -4.036123 -1.234230
C 3.490894 0.045412 -0.488156
C 2.379513 -1.817318 0.595244
C 4.524259 -0.806458 -0.892880
C 3.411205 -2.669657 0.192190
C 4.482309 -2.162599 -0.552856
H 0.257243 2.973030 -0.534440
H -0.778224 2.316276 -1.832849
H -0.742502 0.024046 -2.348871
H 0.431392 -1.049067 -1.556735
H -2.383326 1.404916 -0.039338
H -1.380661 2.145745 1.211884
H -1.164226 -1.247648 0.458766
H -2.312731 -0.200711 -0.369231
H -1.726884 4.429256 0.157219
H -2.736760 3.699871 -1.097109
H -2.452605 -1.857768 -2.297366
H -1.278683 -2.902602 -1.490065
H -4.335050 2.854225 0.690894
H -3.323477 3.592571 1.937441
H -2.844056 -3.126948 0.495688
H -4.019472 -2.086800 -0.313460
H -3.725915 5.877388 0.912540
H -4.737852 5.142059 -0.335044
H -5.243646 5.091666 1.357007
H -4.196719 -3.762746 -2.212524
H -3.022219 -4.804152 -1.401749
H -4.594259 -4.499280 -0.657261
H 3.529986 1.108945 -0.744811
H 1.544653 -2.208300 1.189369
H 5.361057 -0.412136 -1.467102
H 3.383840 -3.724084 0.462049
H 5.288504 -2.826885 -0.866391


%chk=000250966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250966

0 1
S 1.012135 0.489398 0.810385
O 0.233199 -0.490646 1.868896
O 1.467749 1.989511 1.257816
N 0.108063 0.727414 -0.801818
C -0.633642 2.018193 -0.847327
C -0.494795 -0.525647 -1.327489
C -1.763712 2.269383 0.183452
C -1.823906 -1.045279 -0.722808
C -2.375367 3.677626 0.005579
C -2.183974 -2.441940 -1.280528
C -3.501199 3.975469 1.022947
C -3.529701 -2.973233 -0.736496
C 2.534691 -0.469966 0.221492
C -4.113418 5.381728 0.846930
C -3.887409 -4.373925 -1.278924
C 3.517951 0.222457 -0.503781
C 2.639570 -1.818240 0.596741
C 4.671427 -0.496902 -0.892538
C 3.801322 -2.521171 0.197922
C 4.808609 -1.863144 -0.545894
H 0.117677 2.821963 -0.741986
H -1.034545 2.073465 -1.880395
H -0.619791 -0.350926 -2.416182
H 0.276010 -1.317231 -1.233694
H -2.556908 1.505033 0.093934
H -1.341947 2.183423 1.203712
H -1.726675 -1.094767 0.377956
H -2.647937 -0.343182 -0.954850
H -1.577189 4.441154 0.113143
H -2.777679 3.786166 -1.024422
H -2.228318 -2.407465 -2.390239
H -1.378520 -3.161294 -1.021948
H -4.295812 3.208202 0.922532
H -3.096744 3.871262 2.049768
H -3.485921 -3.001790 0.370759
H -4.335914 -2.257601 -0.997445
H -3.343857 6.166744 0.971938
H -4.553012 5.500800 -0.161679
H -4.911751 5.570739 1.587951
H -3.965511 -4.364669 -2.382754
H -3.113362 -5.115282 -1.004070
H -4.853107 -4.729762 -0.875280
H 3.392715 1.282690 -0.743770
H 1.850409 -2.283141 1.197294
H 5.460357 0.009020 -1.458793
H 3.919027 -3.574417 0.473291
H 5.706818 -2.412323 -0.848727


