%chk=000229231.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229231

0 1
S -2.564287 2.075950 0.282451
O -3.386448 2.843275 1.201034
O -2.207568 2.649381 -0.989615
N -1.094411 1.904723 1.228573
N -0.216887 0.998278 0.739583
N -4.688323 -3.384490 -0.322196
C 3.183473 0.162654 0.264894
C 4.044763 -0.869469 -0.192095
C 1.860341 -0.189574 0.710638
C -3.174991 0.500771 0.102613
C 3.658297 1.512766 0.251547
C 3.578744 -2.222874 -0.215463
C 1.436267 -1.500170 0.663913
C 5.367133 -0.537490 -0.629452
C 2.305687 -2.525077 0.195778
C 0.974053 0.862567 1.255586
C -4.266744 0.077494 0.879410
C -2.599120 -0.384697 -0.824436
C 4.929298 1.804592 -0.176912
C 5.797842 0.765124 -0.619350
C -4.205959 -2.087491 -0.203468
C -4.791115 -1.197621 0.736383
C -3.101706 -1.667379 -0.988943
H 2.989190 2.309649 0.574805
H 4.253051 -3.001081 -0.568463
H 0.430206 -1.768184 0.986050
H 6.019591 -1.339386 -0.971088
H 1.939045 -3.550233 0.175311
H 1.402632 1.448690 2.078311
H -4.714771 0.769887 1.605104
H -1.741240 -0.058769 -1.427627
H 5.291788 2.831189 -0.190258
H 6.801659 1.026100 -0.950576
H -0.852208 2.552907 1.990552
H -5.634986 -1.513841 1.341865
H -2.646815 -2.343206 -1.707023
H -5.552355 -3.648522 0.117923
H -4.382329 -3.973741 -1.076760


%chk=000229231-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229231

0 1
S -2.719330 1.787962 -0.364085
O -3.485682 3.012709 0.388142
O -2.347931 1.838814 -1.947315
N -1.105094 1.660697 0.732272
N -0.156341 0.851413 0.189737
N -5.503144 -3.451293 0.770523
C 3.554557 0.305002 0.240080
C 4.518117 -0.628705 -0.318459
C 2.144569 0.110399 -0.056691
C -3.558597 0.175861 -0.006025
C 4.056725 1.374241 1.057307
C 4.067341 -1.712146 -1.139319
C 1.753000 -0.976102 -0.867049
C 5.915466 -0.455078 -0.040956
C 2.705148 -1.880325 -1.407289
C 1.126009 1.030536 0.464168
C -4.318105 0.059202 1.173059
C -3.425036 -0.870402 -0.937069
C 5.423514 1.517100 1.310841
C 6.366125 0.595658 0.757486
C -4.858278 -2.248909 0.512386
C -4.970909 -1.157216 1.429223
C -4.080477 -2.084792 -0.675466
H 3.368330 2.101084 1.499163
H 4.808048 -2.407052 -1.552375
H 0.686008 -1.104585 -1.072978
H 6.626908 -1.169502 -0.472316
H 2.364860 -2.710550 -2.035478
H 1.444238 1.865617 1.112141
H -4.407896 0.906700 1.859889
H -2.836435 -0.722996 -1.847912
H 5.777795 2.342499 1.938250
H 7.434821 0.719502 0.962863
H -0.866671 2.648064 0.987162
H -5.572893 -1.270167 2.337998
H -3.994155 -2.913507 -1.387400
H -6.061925 -3.575111 1.610144
H -5.431882 -4.231920 0.123950


