%chk=000279005.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279005

0 1
S -0.514728 -1.443188 1.149689
O 3.553068 -1.449057 -1.860088
O 0.176758 1.436013 1.164407
O 0.782344 -3.268034 1.622850
O -5.654726 2.137599 -1.163482
O -6.360567 1.704328 0.833108
N 1.741552 -2.823958 -0.425869
N -5.523521 1.641727 -0.054243
C 3.006466 0.703099 -0.995530
C 2.099139 1.453386 -0.222599
C 1.726946 -1.418424 -0.347689
C 0.818636 -0.670128 0.313846
C 2.853467 -0.764782 -1.143284
C 0.947608 0.797093 0.485270
C 4.068942 1.343001 -1.643316
C 2.264437 2.834521 -0.104078
C 4.230351 2.730136 -1.519662
C 3.332193 3.472582 -0.753459
C -1.918296 -0.440834 0.762078
C -2.109915 0.126820 -0.502277
C -2.891749 -0.339082 1.763863
C 1.243845 -3.700510 0.585575
C -4.271543 0.916731 0.229829
C -3.291383 0.816170 -0.771952
C -4.078246 0.342867 1.498267
C 1.376407 -5.150125 0.240189
H 4.768374 0.753845 -2.244633
H 1.554909 3.411503 0.499766
H 2.286061 -3.216315 -1.209638
H 5.060906 3.224904 -2.025420
H 3.455571 4.552711 -0.655307
H -1.348948 0.035678 -1.276736
H -2.724620 -0.773100 2.752393
H -3.466704 1.275067 -1.750536
H -4.855185 0.442392 2.263860
H 0.948610 -5.770847 1.048448
H 2.422154 -5.467366 0.118438
H 0.835186 -5.415524 -0.680779


%chk=000279005-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279005

0 1
S -0.682924 -1.623832 1.269327
O 3.461254 -1.515867 -1.856921
O 0.182121 1.304139 1.504009
O 1.231843 -3.610671 1.788993
O -5.458072 2.430679 -1.451894
O -6.238596 2.273328 0.686903
N 1.762441 -2.914736 -0.389782
N -5.374168 2.001997 -0.234761
C 2.858400 0.649475 -0.952708
C 1.992571 1.365435 -0.081166
C 1.695601 -1.523251 -0.240136
C 0.744810 -0.809504 0.478719
C 2.739113 -0.820992 -1.064574
C 0.915103 0.662428 0.691230
C 3.850264 1.336669 -1.693379
C 2.128477 2.766958 0.044195
C 3.980917 2.735058 -1.563472
C 3.120906 3.449533 -0.693007
C -2.032777 -0.453137 0.798473
C -2.178422 0.010986 -0.531535
C -2.991702 -0.124343 1.786092
C 1.557100 -3.899668 0.607455
C -4.219153 1.148696 0.123460
C -3.271013 0.827914 -0.874285
C -4.098236 0.677761 1.450053
C 1.766684 -5.324381 0.118083
H 4.505116 0.759658 -2.353625
H 1.449376 3.297395 0.718560
H 2.335519 -3.187241 -1.203654
H 4.749309 3.268429 -2.132421
H 3.224874 4.534878 -0.592143
H -1.446980 -0.271564 -1.295293
H -2.857293 -0.473830 2.813942
H -3.410235 1.206645 -1.890112
H -4.851881 0.955938 2.191104
H 2.049680 -5.958778 0.971174
H 2.536726 -5.400111 -0.669555
H 0.817044 -5.711194 -0.296050


