%chk=000265763.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265763

0 1
S 4.083114 -0.287206 -0.586860
O 0.244447 -1.902114 0.662129
N -0.412434 0.189215 -0.086587
N 1.181438 -1.116056 -1.313222
C -1.573288 0.216173 0.857508
C -1.884601 1.684551 1.209882
C -2.808752 -0.503706 0.277547
C -2.562807 2.447850 0.065328
C -3.465312 0.271702 -0.869125
C -3.804620 1.708087 -0.449334
C 0.327280 -1.016420 -0.177932
C 2.220651 -2.176559 -1.265984
C 3.326841 -1.903496 -0.249420
C 3.411427 0.773645 0.743790
C 3.974341 2.157792 0.503870
H -1.247908 -0.328077 1.788289
H -0.953879 2.203962 1.510418
H -2.540652 1.694479 2.102677
H -3.542578 -0.657958 1.092602
H -2.523213 -1.519981 -0.059681
H -2.845780 3.460333 0.411935
H -1.846934 2.604401 -0.763568
H -2.798661 0.282049 -1.751990
H -4.384508 -0.252372 -1.194330
H -4.244943 2.257289 -1.302239
H -4.582998 1.692326 0.338029
H -0.557728 0.735446 -0.936556
H 1.515675 -0.243795 -1.734832
H 2.634928 -2.279484 -2.294912
H 1.719817 -3.145275 -1.014435
H 2.929934 -1.955119 0.784619
H 4.121767 -2.671248 -0.314722
H 3.716244 0.375595 1.729263
H 2.305433 0.770340 0.717807
H 5.073336 2.171116 0.538134
H 3.675529 2.567507 -0.470725
H 3.621692 2.861709 1.270625


%chk=000265763-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265763

0 1
S 4.336102 -0.274126 -0.763661
O -0.021147 -2.063589 0.596248
N -0.590694 0.113360 -0.050653
N 1.212492 -0.990267 -1.085683
C -1.741403 0.196162 0.877304
C -2.059730 1.680221 1.185660
C -2.997383 -0.529706 0.317047
C -2.677214 2.424187 -0.026392
C -3.601258 0.205793 -0.901918
C -3.925369 1.682205 -0.565366
C 0.185404 -1.041286 -0.134766
C 2.166943 -2.093803 -1.216367
C 3.439715 -1.905019 -0.363411
C 3.829024 0.756270 0.755569
C 4.315997 2.200630 0.574919
H -1.427538 -0.320819 1.802354
H -1.145024 2.194705 1.538322
H -2.788056 1.703104 2.020116
H -3.754332 -0.582913 1.126747
H -2.721178 -1.568761 0.062406
H -2.941308 3.458095 0.268375
H -1.930229 2.523433 -0.843964
H -2.883889 0.168354 -1.747763
H -4.515029 -0.317543 -1.242772
H -4.325450 2.203836 -1.456429
H -4.721402 1.710028 0.207642
H -0.487166 0.848171 -0.751815
H 1.492393 -0.098250 -1.500031
H 2.442539 -2.206071 -2.281296
H 1.648926 -3.013437 -0.889462
H 3.190253 -1.889224 0.710895
H 4.162112 -2.718006 -0.549199
H 4.285588 0.288122 1.644313
H 2.730565 0.704745 0.848664
H 5.414285 2.241767 0.463640
H 3.864271 2.668375 -0.318393
H 4.040484 2.807959 1.457117


