%chk=000257977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257977

0 1
S 1.716080 1.776277 0.380381
O 1.145691 2.085371 1.668227
O 2.718467 2.638850 -0.205295
O -5.254905 -1.064358 -0.973791
O -4.887142 -1.103087 1.155925
N 0.405982 1.782221 -0.790081
N -4.575536 -0.807373 0.010702
C 2.244102 0.147076 0.342135
C -0.850001 1.190312 -0.595193
C 0.689367 2.435554 -2.093888
C 3.250904 -0.239075 -0.552892
C 1.691428 -0.801808 1.213602
C -1.686904 0.871080 -1.700132
C -1.294898 0.876076 0.717090
C 3.128942 -2.516812 0.273628
C 3.690741 -1.560796 -0.591574
C 2.125879 -2.124488 1.179929
C -2.897273 0.228277 -1.499522
C -2.505784 0.234202 0.910443
C -3.308533 -0.109677 -0.195764
C 3.587610 -3.933979 0.243622
H -0.145037 3.090211 -2.402556
H 0.868340 1.691059 -2.887664
H 1.588838 3.082720 -2.019088
H 3.704236 0.502491 -1.221273
H 0.917587 -0.504817 1.931420
H -1.381799 1.117010 -2.714668
H -0.723509 1.196070 1.598454
H 4.473923 -1.851377 -1.290357
H 1.689718 -2.857265 1.858206
H -3.542932 -0.029177 -2.347804
H -2.856537 -0.006361 1.921596
H 2.750662 -4.625755 0.058787
H 4.340356 -4.130120 -0.532369
H 4.036334 -4.229834 1.205364


%chk=000257977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257977

0 1
S 1.770552 1.970645 0.491244
O 1.235350 2.266469 1.991836
O 2.954447 2.852752 -0.187513
O -4.867427 -1.651507 -0.977296
O -4.742786 -1.271842 1.272146
N 0.239186 2.230721 -0.740553
N -4.316701 -1.105793 0.060592
C 2.238318 0.150021 0.368273
C -0.858464 1.369670 -0.547032
C 0.731166 2.549351 -2.089885
C 3.158705 -0.223804 -0.624376
C 1.662293 -0.755101 1.276836
C -1.497517 0.724153 -1.653657
C -1.405349 1.192736 0.766020
C 2.942370 -2.551812 0.168033
C 3.504812 -1.590748 -0.713188
C 2.025457 -2.113151 1.162229
C -2.634726 -0.073974 -1.456457
C -2.527055 0.378453 0.964445
C -3.135409 -0.253345 -0.147909
C 3.318027 -4.017734 0.066297
H -0.052344 3.128630 -2.610657
H 0.996388 1.660576 -2.701105
H 1.621463 3.192332 -1.989627
H 3.612069 0.527313 -1.279239
H 0.977446 -0.408976 2.056492
H -1.110657 0.855707 -2.667407
H -0.950562 1.722508 1.607649
H 4.226590 -1.910916 -1.472627
H 1.593407 -2.841206 1.858152
H -3.135316 -0.570604 -2.292133
H -2.958163 0.239202 1.959341
H 2.426174 -4.645481 -0.115703
H 4.033245 -4.200337 -0.752767
H 3.779411 -4.376212 1.005147


