%chk=000283549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283549

0 1
S -2.410681 1.153901 0.358269
O -2.409861 0.419705 1.604414
O -3.668499 1.487168 -0.279849
O 4.450946 -1.791800 -1.207542
O 4.396588 -1.593068 1.043395
N -1.554250 0.218744 -0.837003
C -2.341365 -0.308907 -1.991259
C -2.682626 -1.800492 -1.852828
C -3.713006 -2.074303 -0.751173
C -0.246521 -0.284096 -0.633191
C -4.155852 -3.544222 -0.750086
C -1.437652 2.559966 0.513379
C 0.283036 -0.409026 0.672629
C 0.565115 -0.619331 -1.745579
C -5.168308 -3.821864 0.358804
C -0.590743 2.717175 1.618691
C -1.503771 3.567104 -0.457433
C 1.601846 -0.807542 0.851194
C 1.880713 -1.019540 -1.553185
C 2.416868 -1.104332 -0.256450
C 0.193731 3.861280 1.746323
C -0.721499 4.714947 -0.336488
C 0.137104 4.869367 0.766069
C 0.984830 6.087568 0.906344
C 3.811275 -1.508712 -0.015270
C 5.839462 -2.244130 -1.141570
C 5.884912 -3.706841 -0.750161
H -3.279576 0.293073 -2.089411
H -1.762212 -0.140026 -2.928344
H -3.068088 -2.164769 -2.826187
H -1.761797 -2.386233 -1.657262
H -3.288541 -1.813500 0.240470
H -4.594628 -1.414915 -0.877897
H -4.595053 -3.808630 -1.731485
H -3.274192 -4.202711 -0.622947
H -0.347477 -0.257336 1.554724
H 0.162752 -0.550586 -2.754330
H -4.752090 -3.597063 1.348533
H -6.071822 -3.212138 0.242724
H -5.476626 -4.872677 0.362257
H -0.547732 1.940279 2.391870
H -2.178191 3.460870 -1.314003
H 2.016505 -0.904197 1.860245
H 2.513507 -1.268833 -2.410730
H 0.852721 3.975021 2.605860
H -0.778522 5.492002 -1.096684
H 2.055924 5.830708 0.901486
H 0.828139 6.818622 0.101588
H 0.786949 6.609025 1.855600
H 6.167632 -2.059200 -2.180242
H 6.387632 -1.598246 -0.432351
H 6.897119 -4.116541 -0.839801
H 5.218051 -4.312691 -1.376545
H 5.562323 -3.845726 0.293319


%chk=000283549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000283549

0 1
S -2.561174 1.256248 0.297505
O -2.680490 0.501141 1.737968
O -3.917628 1.726529 -0.466563
O 4.391324 -1.920654 -1.279950
O 4.305588 -1.518585 1.021625
N -1.657579 0.250546 -1.012495
C -2.519985 -0.259919 -2.100901
C -2.825955 -1.772324 -2.010008
C -3.650971 -2.159504 -0.762949
C -0.353856 -0.228956 -0.754942
C -3.954328 -3.673605 -0.695480
C -1.408389 2.730534 0.519980
C 0.218875 -0.252068 0.552622
C 0.441751 -0.678535 -1.856614
C -4.789593 -4.058315 0.544752
C -0.891458 2.968160 1.802705
C -1.175626 3.569235 -0.579837
C 1.547335 -0.667416 0.735274
C 1.765000 -1.099538 -1.657207
C 2.342835 -1.089704 -0.360396
C -0.073965 4.104384 1.977592
C -0.350058 4.697661 -0.377639
C 0.212735 4.979515 0.895251
C 1.104293 6.189243 1.103360
C 3.740034 -1.516624 -0.103174
C 5.799563 -2.389501 -1.125011
C 5.841508 -3.878411 -0.767930
H -3.460250 0.322805 -2.057869
H -2.038358 -0.008438 -3.067003
H -3.385556 -2.051779 -2.926728
H -1.880838 -2.350364 -2.028119
H -3.108784 -1.857321 0.156104
H -4.603864 -1.591214 -0.759710
H -4.491922 -3.982598 -1.615827
H -2.998180 -4.236108 -0.689258
H -0.391168 -0.002084 1.424746
H 0.023854 -0.679345 -2.867146
H -4.263124 -3.780183 1.476767
H -5.763360 -3.533408 0.543439
H -4.989627 -5.145211 0.577927
H -1.129036 2.291845 2.629954
H -1.615849 3.355750 -1.558692
H 1.986821 -0.690275 1.738073
H 2.368858 -1.432695 -2.506017
H 0.346790 4.313129 2.967891
H -0.144089 5.367028 -1.220110
H 2.127547 5.882601 1.390213
H 1.180558 6.802506 0.189984
H 0.719895 6.834554 1.914635
H 6.251375 -2.187626 -2.109853
H 6.290831 -1.779084 -0.346871
H 6.890756 -4.227527 -0.742408
H 5.295509 -4.478661 -1.516273
H 5.395923 -4.053531 0.225515


