%chk=000232561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232561

0 1
S 0.378248 1.163929 -0.187666
O 0.051280 1.764519 1.093855
O 0.396487 1.973369 -1.391807
N -0.749115 -0.088647 -0.519084
C -1.606293 -0.610514 0.583529
C -2.685725 0.394339 1.042940
C -2.250156 -1.940438 0.129502
C -3.790500 0.591673 0.001177
C -3.372772 -1.740750 -0.896510
C -4.428548 -0.746703 -0.394915
C 1.881526 0.319926 -0.029505
C 2.595192 -0.054507 -1.171402
C 2.381332 0.023834 1.242401
C 3.808836 -0.737725 -1.042061
C 3.594120 -0.658860 1.373428
C 4.305459 -1.040683 0.230179
H -0.929458 -0.823149 1.455101
H -2.214341 1.368819 1.296619
H -3.127346 0.031894 1.991055
H -2.650027 -2.458707 1.022193
H -1.471434 -2.605724 -0.291400
H -3.382944 1.097871 -0.894748
H -4.563677 1.274097 0.403240
H -3.848760 -2.714428 -1.119960
H -2.948996 -1.386393 -1.855824
H -4.963983 -1.176171 0.473564
H -5.194374 -0.583668 -1.175832
H -1.276713 -0.001781 -1.400352
H 2.213484 0.193636 -2.167124
H 1.829809 0.336490 2.136422
H 4.366346 -1.029666 -1.930574
H 3.985616 -0.889122 2.362927
H 5.251728 -1.573358 0.331733


%chk=000232561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232561

0 1
S 0.418560 1.299585 -0.065027
O 0.158113 1.876598 1.443458
O 0.484780 2.276950 -1.368523
N -0.848194 0.002517 -0.534152
C -1.679314 -0.509132 0.605513
C -2.838916 0.439564 1.015904
C -2.221685 -1.903116 0.186324
C -3.926753 0.536951 -0.081532
C -3.313462 -1.803869 -0.906431
C -4.463284 -0.861911 -0.472301
C 2.004491 0.278497 0.023114
C 2.592678 -0.135359 -1.182998
C 2.543400 0.017151 1.291982
C 3.794780 -0.874786 -1.102715
C 3.746909 -0.724816 1.350454
C 4.365169 -1.170719 0.159103
H -0.990743 -0.633778 1.462903
H -2.427600 1.433680 1.269479
H -3.297304 0.034541 1.940916
H -2.652287 -2.380670 1.090052
H -1.379656 -2.530346 -0.157308
H -3.518334 1.040340 -0.984632
H -4.752266 1.182259 0.273674
H -3.709360 -2.813553 -1.126382
H -2.863639 -1.433017 -1.850170
H -4.984183 -1.305572 0.401570
H -5.212911 -0.773627 -1.282015
H -1.412155 0.491053 -1.258526
H 2.138584 0.122744 -2.144622
H 2.047852 0.399629 2.190317
H 4.284001 -1.214582 -2.021428
H 4.199353 -0.946822 2.322525
H 5.297678 -1.742980 0.212575


