%chk=000255901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255901

0 1
S 2.464204 -1.835350 -0.468096
O 3.317985 -2.637660 0.390644
O 2.446570 -2.087217 -1.882872
O -0.251387 -0.633944 -0.947688
N -4.197700 0.430362 0.268586
N -1.504908 -2.193125 0.207789
N 0.891421 -2.259598 0.186172
C -3.057280 -0.339641 0.856976
C -5.323195 0.582637 1.249857
C -3.755730 1.757885 -0.275851
C -2.784465 -1.513788 -0.112435
C -6.618694 0.919305 0.509420
C -2.833602 1.573432 -1.479712
C -0.302527 -1.627837 -0.231412
C 2.679864 -0.176750 -0.121641
C 3.473034 0.204093 0.971363
C 2.097706 0.806184 -0.932522
C 3.098076 2.540502 0.438891
C 3.682825 1.550748 1.253039
C 2.305916 2.158335 -0.655210
C 3.335606 3.984156 0.729286
H -3.284876 -0.726140 1.870088
H -2.137390 0.277418 0.964081
H -5.454431 -0.386167 1.781993
H -5.117222 1.350048 2.027047
H -4.668652 2.309276 -0.597710
H -3.256370 2.387364 0.492759
H -2.744225 -1.134141 -1.163698
H -3.605417 -2.259639 -0.072708
H -6.595815 1.926155 0.077197
H -6.785978 0.220526 -0.322287
H -7.481984 0.859490 1.179370
H -1.899113 1.049010 -1.220146
H -3.318066 0.976328 -2.262811
H -2.558811 2.538279 -1.915761
H -1.527942 -2.926663 0.904108
H 0.838771 -3.088755 0.790935
H 3.935947 -0.564044 1.603550
H 1.464338 0.514383 -1.784037
H 4.301859 1.838938 2.100026
H 1.848368 2.914060 -1.291234
H 2.503364 4.622808 0.401296
H 3.487894 4.180233 1.799706
H 4.237632 4.340703 0.206251


%chk=000255901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255901

0 1
S 2.473271 -1.864126 -0.428364
O 3.382427 -2.820710 0.525260
O 2.417839 -2.100507 -2.025296
O -0.284848 -0.538367 -0.970597
N -4.426305 0.446194 0.270495
N -1.542696 -2.057433 0.287617
N 0.810499 -2.145128 0.333983
C -3.186233 -0.199111 0.765216
C -5.551676 0.441453 1.240404
C -4.193519 1.762111 -0.379060
C -2.829455 -1.440567 -0.095094
C -6.935693 0.538566 0.568127
C -3.348026 1.664167 -1.664137
C -0.349496 -1.525434 -0.175534
C 2.877312 -0.065349 -0.053072
C 3.673760 0.181463 1.075914
C 2.424604 0.931136 -0.930659
C 3.604250 2.575841 0.485928
C 4.030283 1.522302 1.337947
C 2.800848 2.261012 -0.642861
C 4.024578 4.008038 0.759521
H -3.300342 -0.505981 1.825198
H -2.328547 0.503054 0.727725
H -5.504200 -0.513248 1.797744
H -5.449545 1.259363 2.000208
H -5.178784 2.191822 -0.635454
H -3.704924 2.479028 0.331304
H -2.765974 -1.131242 -1.150750
H -3.625320 -2.201668 -0.010989
H -7.079686 1.502513 0.048283
H -7.052953 -0.270492 -0.174007
H -7.736620 0.447067 1.325442
H -2.340781 1.252499 -1.471732
H -3.849530 1.014759 -2.403857
H -3.222246 2.668498 -2.110371
H -1.540846 -2.841353 0.940135
H 0.811955 -3.012572 0.884252
H 4.011414 -0.644417 1.710153
H 1.790230 0.676966 -1.783361
H 4.650942 1.749987 2.212052
H 2.459392 3.065062 -1.304439
H 3.275610 4.728765 0.388562
H 4.172986 4.189516 1.838084
H 4.981647 4.238720 0.252679


