%chk=000243470.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243470

0 1
S 1.441670 1.115028 -0.004690
O -5.476511 0.160403 0.004305
O 0.657627 -3.603054 0.004863
N -3.571772 1.455987 0.000924
N -1.527480 2.555130 -0.002229
N -2.679911 -0.895352 0.001693
N -0.210393 -0.971669 -0.001383
N -1.579856 -2.964999 0.001847
C -2.566458 0.454581 0.000493
C -1.299973 1.163404 -0.001521
C -0.132308 0.381061 -0.002409
C -2.839776 2.718822 -0.000874
C 2.583507 -0.307197 -0.005946
C -1.460412 -1.562404 0.000793
C 3.937241 0.316398 -0.002922
C -5.010465 1.266992 0.002808
C 4.577896 0.608540 1.212473
C 4.580936 0.613730 -1.215447
C -5.796547 2.540507 0.002643
C 5.848582 1.189129 1.211673
C 5.851616 1.194308 -1.208980
C 6.487685 1.482674 0.002765
C -0.503848 -3.916506 0.003330
C -1.014803 -5.330096 0.002902
H -3.366579 3.663126 -0.000921
H 2.397737 -0.960137 -0.885191
H 2.395488 -0.963822 0.870192
H 4.083924 0.384404 2.156920
H 4.089362 0.393643 -2.162085
H -2.553197 -3.308739 0.002103
H -5.606205 3.156522 -0.888624
H -5.604058 3.158102 0.892351
H -6.878140 2.313186 0.004154
H 6.341529 1.413973 2.156134
H 6.346925 1.423189 -2.151232
H 7.477282 1.934833 0.004974
H -1.619285 -5.562780 0.890795
H -0.164265 -6.033624 0.003645
H -1.617765 -5.562794 -0.886022


%chk=000243470-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243470

0 1
S 1.191095 1.472790 -1.940915
O -5.024004 0.141909 1.145131
O 1.322822 -3.145131 0.053620
N -3.452777 1.499203 0.053497
N -1.775540 2.657561 -1.036651
N -2.266139 -0.689752 0.312755
N -0.011493 -0.648310 -0.659731
N -0.945393 -2.585416 0.403852
C -2.365209 0.595570 -0.088205
C -1.348201 1.339532 -0.765196
C -0.140352 0.648803 -1.048188
C -3.010121 2.720843 -0.543399
C 2.531392 0.085897 -1.973603
C -1.046348 -1.243984 -0.007244
C 3.574952 0.245061 -0.894795
C -4.737086 1.257312 0.663207
C 3.594228 -0.648949 0.207341
C 4.563003 1.261323 -0.981300
C -5.686267 2.446661 0.664333
C 4.586700 -0.519857 1.206336
C 5.550269 1.389909 0.018716
C 5.564186 0.497900 1.117771
C 0.158734 -3.460975 0.409632
C -0.208047 -4.859387 0.909233
H -3.642367 3.603845 -0.579316
H 2.946578 0.186931 -2.989523
H 1.972024 -0.857234 -1.871531
H 2.839174 -1.440955 0.267058
H 4.554718 1.955157 -1.831678
H -1.827030 -2.928677 0.798001
H -5.913825 2.783557 -0.363219
H -5.262066 3.301966 1.220685
H -6.620325 2.132446 1.151244
H 4.598173 -1.218268 2.051051
H 6.307880 2.178255 -0.057465
H 6.331756 0.594602 1.894289
H -0.631464 -4.824077 1.930237
H 0.700409 -5.477852 0.921917
H -0.955038 -5.333710 0.246360


