%chk=000279374.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279374

0 1
S 1.488338 0.782824 -1.836397
O -3.192326 0.962994 -0.299927
O -2.795931 3.211473 -0.484603
N -1.583148 1.638884 -1.736127
C 2.239239 0.014979 -0.328615
C 2.537355 -1.393174 -0.816443
C 3.553291 0.658490 0.067258
C 1.157847 0.119562 0.723081
C 0.780059 2.379697 -1.321453
C 3.218081 -1.573380 -2.032601
C 4.271611 0.067294 1.127042
C -0.072326 -0.532885 0.512336
C 2.191823 -2.517460 -0.050876
C 4.092684 1.775015 -0.578597
C 1.320666 0.904843 1.873141
C -0.500574 2.574247 -2.127215
C 3.502667 -2.861630 -2.493910
C 5.492706 0.597465 1.539121
C -1.109755 -0.398671 1.433729
C 2.484634 -3.802867 -0.514253
C 5.320658 2.305862 -0.160084
C 0.280012 1.026888 2.800849
C 3.132634 -3.979348 -1.740210
C 6.020931 1.724577 0.896985
C -0.937294 0.378655 2.584505
C -2.516963 2.070352 -0.794998
C -4.362810 1.264653 0.533538
C -5.204294 0.022384 0.490063
C -6.588240 0.119232 0.286384
C -4.610366 -1.234746 0.672366
C -7.371321 -1.038676 0.276408
C -5.395905 -2.389170 0.653052
C -6.777894 -2.292073 0.458708
H 1.504565 3.189558 -1.529266
H 0.584800 2.407044 -0.230663
H 3.546082 -0.715258 -2.622974
H 3.868396 -0.815767 1.624296
H -0.218752 -1.147297 -0.378433
H 1.697935 -2.398847 0.914002
H 3.588893 2.246173 -1.421993
H 2.257270 1.432549 2.059001
H -0.865411 3.626897 -2.006019
H -0.321152 2.428203 -3.220532
H 4.019733 -2.992404 -3.443484
H 6.038682 0.132534 2.358543
H -2.074263 -0.885962 1.241099
H 2.207636 -4.668918 0.084731
H 5.729406 3.176916 -0.670333
H 0.422569 1.636566 3.692202
H 3.353830 -4.981125 -2.102919
H 6.974004 2.139341 1.218857
H -1.748543 0.480053 3.302606
H -1.349250 0.641169 -1.764515
H -4.867711 2.164845 0.133872
H -3.974141 1.480511 1.546511
H -7.055628 1.090589 0.133497
H -3.525024 -1.299911 0.817004
H -8.446578 -0.963347 0.121522
H -4.932237 -3.364783 0.788895
H -7.390705 -3.191521 0.446640


%chk=000279374-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279374

0 1
S 1.543157 0.846087 -1.977045
O -3.433209 1.082900 -0.911035
O -3.056210 3.414176 -0.902982
N -1.485079 1.883667 -1.760364
C 2.232482 -0.007341 -0.331628
C 2.548931 -1.456571 -0.780533
C 3.562993 0.633549 0.133654
C 1.106409 0.099702 0.709229
C 0.891249 2.528697 -1.368932
C 3.314886 -1.673544 -1.957402
C 4.218297 0.054763 1.256856
C -0.123274 -0.583797 0.492100
C 2.200660 -2.580160 0.011723
C 4.181986 1.730521 -0.508477
C 1.212480 0.934838 1.850323
C -0.437659 2.856813 -2.077420
C 3.691978 -2.975265 -2.347487
C 5.444516 0.566877 1.726154
C -1.199320 -0.452990 1.391040
C 2.586742 -3.884408 -0.373288
C 5.414047 2.246320 -0.040139
C 0.133443 1.066917 2.757366
C 3.328800 -4.090480 -1.556726
C 6.050298 1.670872 1.080263
C -1.074438 0.372808 2.535009
C -2.671824 2.245609 -1.174247
C -4.741985 1.331932 -0.267022
C -5.325489 0.003347 0.173203
C -6.305905 -0.012627 1.197382
C -4.947815 -1.217476 -0.438283
C -6.906829 -1.226873 1.598043
C -5.544228 -2.433345 -0.032690
C -6.527158 -2.443058 0.983869
H 1.647549 3.299931 -1.591998
H 0.744746 2.456179 -0.278942
H 3.621281 -0.816323 -2.567176
H 3.768905 -0.808510 1.760148
H -0.235937 -1.209004 -0.400911
H 1.626931 -2.442277 0.933444
H 3.712383 2.165178 -1.396330
H 2.140992 1.481807 2.039873
H -0.798980 3.847154 -1.746263
H -0.280465 2.907968 -3.173354
H 4.275482 -3.118580 -3.263879
H 5.930316 0.101571 2.591276
H -2.140825 -0.976226 1.192657
H 2.306919 -4.737514 0.255217
H 5.875358 3.095014 -0.557886
H 0.240278 1.720129 3.630694
H 3.624717 -5.102032 -1.856290
H 7.005384 2.068376 1.441207
H -1.912667 0.478971 3.232403
H -1.260697 0.889857 -1.850726
H -5.398269 1.840042 -1.001079
H -4.604197 2.021628 0.585624
H -6.599945 0.925856 1.684383
H -4.185586 -1.205015 -1.223132
H -7.663351 -1.224528 2.390842
H -5.243109 -3.371916 -0.511904
H -6.989648 -3.386098 1.295992


