%chk=000283741.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283741

0 1
S -0.864233 0.849834 -1.271334
O -3.222347 1.410543 -2.888507
O -4.080663 0.788317 -0.906972
O 5.943246 1.890394 0.359686
O 6.475650 -0.274912 0.496769
N -3.569949 3.596730 -0.233165
C -0.116725 -0.341189 -0.061637
C 1.373375 -0.068725 0.042385
C -0.378169 -1.642653 -0.800963
C -0.827661 -0.213242 1.263809
C -1.349366 2.355623 -0.374274
C 2.257562 -1.155084 0.183093
C 1.890403 1.235637 0.037109
C -1.017526 -2.727216 -0.183524
C -0.116542 -0.007825 2.455720
C 0.048987 -1.765685 -2.136188
C -2.231444 -0.299416 1.315493
C -2.640057 2.809091 -1.072409
C 3.630363 -0.944847 0.292514
C 3.265713 1.452605 0.144592
C 4.139744 0.364222 0.271702
C -1.257319 -3.904184 -0.899069
C -0.794614 0.120206 3.672464
C -0.198749 -2.941956 -2.847404
C -2.904198 -0.170162 2.530971
C -0.856247 -4.012626 -2.233152
C -2.188345 0.041690 3.714344
C -3.396996 1.558373 -1.537223
C 5.599200 0.552643 0.386438
H -0.557384 3.121751 -0.447036
H -1.506696 2.152883 0.703071
H 1.870413 -2.176775 0.203711
H 1.235169 2.100932 -0.054487
H -1.330806 -2.667453 0.859837
H 0.972775 0.048227 2.453092
H 0.589500 -0.953991 -2.628271
H -2.813842 -0.466388 0.399671
H -2.388497 3.433668 -1.979687
H 4.316681 -1.790980 0.394818
H 3.668810 2.469578 0.130397
H -1.760272 -4.738393 -0.411517
H -0.229292 0.277779 4.590046
H 0.125541 -3.024830 -3.884035
H -3.992261 -0.237190 2.553048
H -1.050255 -4.927290 -2.790514
H -2.715053 0.140254 4.661925
H -3.934074 3.046107 0.543226
H -3.113468 4.419607 0.147494
H -3.664326 0.594014 -3.248345
H 6.926642 2.024203 0.433289


%chk=000283741-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000283741

0 1
S -0.982197 0.806022 -1.454057
O -4.245283 1.895243 -2.533913
O -4.494588 1.603794 -0.243051
O 6.024299 1.909686 0.270606
O 6.440420 -0.257290 0.992796
N -3.129024 4.223369 -0.322340
C -0.118323 -0.442389 -0.174295
C 1.386542 -0.123640 -0.032211
C -0.281531 -1.805251 -0.887625
C -0.864349 -0.346503 1.166005
C -1.480291 2.318046 -0.413108
C 2.256593 -1.148259 0.437249
C 1.938821 1.153121 -0.299499
C -0.853548 -2.936756 -0.255843
C -0.196468 -0.048325 2.381339
C 0.228044 -1.951705 -2.207273
C -2.273557 -0.539685 1.202637
C -2.675951 3.052602 -1.086011
C 3.626816 -0.902829 0.632612
C 3.311718 1.408585 -0.107685
C 4.166748 0.381572 0.363059
C -0.933031 -4.176942 -0.931499
C -0.912676 0.040798 3.598532
C 0.141574 -3.184745 -2.884286
C -2.988868 -0.443835 2.412366
C -0.441774 -4.306712 -2.248644
C -2.310029 -0.158542 3.621615
C -3.877349 2.108127 -1.207885
C 5.619261 0.598769 0.581116
H -0.630739 3.016821 -0.321493
H -1.780067 1.960526 0.586079
H 1.852387 -2.145244 0.639715
H 1.292855 1.942274 -0.692462
H -1.234907 -2.856724 0.766237
H 0.885359 0.113004 2.387304
H 0.694884 -1.092272 -2.702490
H -2.812482 -0.726886 0.268103
H -2.396421 3.380672 -2.100800
H 4.296851 -1.691547 0.990167
H 3.730850 2.395537 -0.322626
H -1.377116 -5.040493 -0.423517
H -0.374163 0.270103 4.524998
H 0.533212 -3.273065 -3.903825
H -4.076035 -0.574066 2.404780
H -0.505941 -5.267435 -2.771585
H -2.865031 -0.081882 4.563289
H -3.474292 4.018882 0.618759
H -2.550951 5.061117 -0.397593
H -5.030238 1.282049 -2.567908
H 7.002386 1.984204 0.435164


