%chk=000224055.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224055

0 1
S -3.065629 -1.470528 -0.150748
O -4.193310 -1.984783 0.604065
O -2.727437 -2.059551 -1.426323
N -1.705391 -1.641594 0.909022
C 1.826189 -0.544787 1.156703
C 2.972542 -0.058715 2.016143
C 2.229624 -0.609417 -0.212040
C 4.081407 0.158391 1.011449
C 3.626348 -0.174046 -0.304817
C -0.369525 -1.319744 0.550475
C 0.547189 -0.890174 1.548073
C 1.332678 -1.044126 -1.178121
C 0.034678 -1.404201 -0.797083
C 5.373316 0.604802 1.222025
C 4.476959 -0.054648 -1.393490
C -3.219171 0.233753 -0.324375
C 6.230459 0.723828 0.110407
C 5.790270 0.399993 -1.171865
C -1.965041 -2.135501 2.283699
C -2.466047 0.923238 -1.282843
C -4.116289 0.935924 0.489442
C -3.493056 3.012707 -0.597687
C -2.597984 2.303984 -1.419773
C -4.254371 2.317289 0.357843
C -3.629514 4.489759 -0.751441
H 3.253955 -0.804801 2.783357
H 2.717218 0.871985 2.556338
H 0.250342 -0.824066 2.589028
H 1.631612 -1.117455 -2.222953
H -0.641785 -1.803326 -1.561970
H 5.728466 0.858981 2.216636
H 4.143158 -0.306550 -2.396245
H 7.250042 1.073239 0.261695
H 6.468262 0.497316 -2.017972
H -1.204991 -2.875987 2.587832
H -2.951922 -2.639526 2.335490
H -1.965398 -1.309514 3.014400
H -1.771561 0.378806 -1.933473
H -4.721409 0.397567 1.228871
H -2.007364 2.834263 -2.164963
H -4.955217 2.854595 0.993915
H -4.310064 4.939279 -0.015782
H -2.659034 4.997731 -0.642938
H -4.017201 4.751712 -1.748305


%chk=000224055-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224055

0 1
S -3.094484 -1.625551 -0.469174
O -4.510309 -2.160248 0.142784
O -2.588013 -2.032559 -1.962879
N -1.639330 -2.310371 0.853724
C 1.632334 -0.451080 1.006976
C 2.603578 0.463484 1.747323
C 2.210405 -0.873270 -0.231102
C 3.795688 0.533192 0.798681
C 3.544306 -0.266814 -0.360113
C -0.369636 -1.766720 0.531441
C 0.351086 -0.870430 1.384689
C 1.496091 -1.747969 -1.086354
C 0.223382 -2.200916 -0.699691
C 5.005347 1.236201 0.930533
C 4.509590 -0.364690 -1.388436
C -3.116592 0.261336 -0.377905
C 5.973083 1.137346 -0.101792
C 5.725357 0.343105 -1.250086
C -2.204130 -2.078175 2.201396
C -2.221452 0.985739 -1.185248
C -4.028665 0.870633 0.499161
C -3.153184 3.061058 -0.226619
C -2.250071 2.393758 -1.098638
C -4.038332 2.282457 0.564428
C -3.182742 4.577376 -0.165404
H 2.887254 0.047307 2.734087
H 2.168563 1.463914 1.939817
H -0.084117 -0.535117 2.331824
H 1.930872 -2.090512 -2.031660
H -0.341633 -2.897581 -1.324587
H 5.205433 1.851483 1.815431
H 4.324424 -0.976869 -2.278173
H 6.921919 1.678019 -0.012061
H 6.485672 0.278546 -2.036424
H -1.620727 -2.688153 2.915570
H -3.242853 -2.449061 2.200818
H -2.197159 -1.021723 2.548620
H -1.545736 0.465591 -1.871462
H -4.727146 0.260334 1.081166
H -1.565753 2.982022 -1.721173
H -4.748364 2.783331 1.232372
H -3.826863 4.939507 0.653570
H -2.170494 4.994550 -0.013715
H -3.570597 5.003624 -1.110012


