%chk=000183812.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183812

0 1
S 2.682773 2.294937 -0.994313
S -4.296319 -2.494415 -0.084608
O 2.969722 1.589673 -2.233507
O 1.999921 3.574432 -1.067943
O 7.264044 1.380275 -0.103433
O -8.373953 0.151624 0.765325
O -6.167571 -4.022448 -1.280722
N -0.518411 0.494757 0.674520
N -6.864249 -2.047778 -0.255356
C 1.748744 1.210779 0.039075
C 4.185358 2.533043 -0.088568
C 0.266763 1.257471 -0.346845
C 5.375401 2.628416 -1.040281
C -1.985470 0.541224 0.389010
C -2.728357 -0.142082 1.553235
C 6.722172 2.696992 -0.311086
C -4.211879 -0.052748 1.355955
C -4.917736 -1.036330 0.660568
C -6.312324 -0.962041 0.467737
C -4.940439 1.036386 1.861774
C 6.759481 0.660468 1.049607
C -7.017037 0.143299 0.989766
C 6.855762 -0.817894 0.662557
C -6.326008 1.140320 1.685454
C -5.942076 -3.022643 -0.664339
C 5.558768 -1.358624 0.128369
C 4.904174 -2.419621 0.770685
C 4.995152 -0.798266 -1.028492
C 3.701136 -2.912889 0.254976
C 3.790542 -1.287344 -1.535208
C 3.140406 -2.347990 -0.894292
H 2.126666 0.166538 -0.027619
H 1.834157 1.463142 1.117519
H 4.124980 3.451633 0.530906
H 4.380713 1.710169 0.636704
H -0.095339 2.316329 -0.339789
H 0.125609 0.871166 -1.382328
H 5.395053 1.733824 -1.718162
H 5.270492 3.508717 -1.707119
H -2.300155 1.607128 0.320588
H -2.262782 0.064677 -0.576595
H -0.201573 -0.481475 0.696877
H -2.427979 0.337591 2.511269
H -2.402886 -1.197961 1.657593
H 7.502926 3.146657 -0.958335
H 6.673773 3.252683 0.637990
H -4.416729 1.824093 2.405695
H 7.426418 0.912810 1.892353
H 5.723955 0.969397 1.284478
H 7.217480 -1.411192 1.524559
H 7.646639 -0.923968 -0.119800
H -6.859862 1.997178 2.090644
H -7.863254 -2.092267 -0.449569
H 5.331411 -2.867627 1.664593
H 5.504959 0.031904 -1.533265
H -8.802354 0.955805 1.154235
H 3.202213 -3.743994 0.750857
H 3.357927 -0.825421 -2.429059
H 2.209255 -2.739220 -1.297540


%chk=000183812-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183812

0 1
S 2.515304 2.187174 -0.915323
S -4.824985 -2.188693 -0.744734
O 2.829159 1.369617 -2.305038
O 1.819699 3.672764 -0.969573
O 6.884201 1.398677 -0.634139
O -8.870559 0.398692 0.735525
O -6.934911 -3.282743 -2.249914
N -0.903620 0.287118 0.506074
N -7.407842 -1.525220 -0.729377
C 1.389178 1.065003 0.198246
C 4.179308 2.336948 0.066687
C -0.032296 1.095449 -0.374630
C 5.199850 3.114281 -0.767244
C -2.356865 0.518974 0.339568
C -3.148629 -0.278008 1.408986
C 6.623992 2.797394 -0.273776
C -4.648902 -0.096331 1.269859
C -5.411566 -0.861915 0.357758
C -6.805040 -0.672430 0.207848
C -5.353311 0.874666 2.025395
C 7.775198 0.663038 0.267919
C -7.484903 0.301757 0.967545
C 7.726084 -0.819399 -0.156375
C -6.747955 1.080040 1.883017
C -6.600321 -2.444347 -1.393398
C 6.355861 -1.460808 0.021340
C 6.095849 -2.328171 1.113898
C 5.305515 -1.197977 -0.898771
C 4.822455 -2.920022 1.286429
C 4.031437 -1.786502 -0.729989
C 3.785429 -2.652714 0.362636
H 1.878490 0.077799 0.157746
H 1.435216 1.502386 1.208079
H 3.888933 2.830463 1.008646
H 4.486426 1.288739 0.216196
H -0.395079 2.139904 -0.365298
H -0.021223 0.761030 -1.437589
H 5.132779 2.797920 -1.825894
H 5.004042 4.200212 -0.721653
H -2.549142 1.600253 0.474437
H -2.729886 0.246477 -0.676661
H -0.676361 -0.715878 0.446060
H -2.804968 0.051072 2.405749
H -2.888690 -1.352693 1.314766
H 7.361567 3.460983 -0.769894
H 6.708390 2.939808 0.826534
H -4.797489 1.484291 2.746330
H 8.814989 1.049058 0.188422
H 7.433653 0.782599 1.320654
H 8.484063 -1.365634 0.436985
H 8.039604 -0.871220 -1.215952
H -7.252608 1.841420 2.490153
H -8.410276 -1.483605 -0.925282
H 6.897712 -2.551082 1.829699
H 5.482389 -0.522818 -1.741941
H -9.282263 1.101098 1.294969
H 4.644512 -3.594663 2.131883
H 3.245014 -1.570240 -1.462757
H 2.803596 -3.124688 0.486467


