%chk=000241668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241668

0 1
S 7.903148 -0.099148 1.309445
S -7.903257 -0.102841 -1.309740
O 3.588383 1.411868 -1.308187
O -3.588755 1.408612 1.311244
O 5.511796 -2.524409 0.853002
O -5.510662 -2.526630 -0.852995
O 7.128282 1.594632 -0.584475
O -7.128493 1.592082 0.583225
N 4.984642 -0.554795 -0.234993
N -4.984324 -0.556643 0.234721
N 8.035450 2.557224 1.292585
N -8.036695 2.553465 -1.293943
C 0.740050 -0.607167 -0.027954
C -0.739703 -0.607461 0.027905
C 1.410285 0.452302 -0.670550
C -1.410296 0.450917 0.671935
C 1.469016 -1.648292 0.550086
C -1.468306 -1.648066 -0.551512
C 3.560356 -0.617740 -0.131392
C -3.560002 -0.619097 0.131267
C 2.799081 0.441048 -0.721709
C -2.799086 0.439115 0.723100
C 2.869541 -1.653436 0.502945
C -2.868836 -1.653734 -0.504402
C 5.864591 -1.515254 0.271322
C -5.863867 -1.517581 -0.271379
C 7.328873 -1.212382 0.015267
C -7.328269 -1.215336 -0.015250
C 2.926825 2.456024 -2.060718
C -2.927437 2.453785 2.062569
C 7.623400 1.500537 0.516867
C -7.623949 1.497281 -0.517904
H 0.833004 1.253595 -1.122505
H -0.833257 1.251734 1.125040
H 0.950824 -2.467020 1.049082
H -0.949841 -2.465968 -1.051571
H 3.424507 -2.480135 0.966229
H -3.423517 -2.480026 -0.968750
H 5.360534 0.291145 -0.702850
H -5.360565 0.289139 0.702566
H 7.518011 -0.799551 -1.000340
H 7.920061 -2.154831 0.081663
H -7.517498 -0.802262 1.000238
H -7.918996 -2.158104 -0.081258
H 3.784055 3.026345 -2.443730
H 2.310642 3.067765 -1.396246
H 2.343197 2.024910 -2.879491
H -3.784831 3.023551 2.446041
H -2.312371 3.065739 1.397261
H -2.342727 2.023575 2.881049
H 8.428931 2.450549 2.214041
H 7.909917 3.505209 0.963314
H -8.430551 2.446226 -2.215173
H -7.911513 3.501641 -0.965093


%chk=000241668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241668

0 1
S 8.174840 -0.313656 1.112486
S -8.174374 -0.316870 -1.112852
O 3.640355 1.570786 -0.903109
O -3.640928 1.568893 0.903538
O 5.677482 -2.810249 0.163557
O -5.676125 -2.812703 -0.164509
O 6.912679 1.712947 -0.288497
O -6.913147 1.709846 0.288811
N 5.015469 -0.605731 -0.350807
N -5.015075 -0.608078 0.350624
N 8.166303 2.358739 1.568454
N -8.167301 2.355708 -1.567758
C 0.742917 -0.700632 -0.048091
C -0.742487 -0.700977 0.047810
C 1.449388 0.476437 -0.429980
C -1.449481 0.475663 0.430055
C 1.499197 -1.867140 0.235531
C -1.498248 -1.867740 -0.236145
C 3.607896 -0.708183 -0.227490
C -3.607459 -0.709867 0.227253
C 2.851469 0.470898 -0.519489
C -2.851557 0.469469 0.519584
C 2.906713 -1.879007 0.149148
C -2.905758 -1.880265 -0.149741
C 5.949506 -1.612866 -0.159728
C -5.948669 -1.615568 0.159260
C 7.397228 -1.170851 -0.393378
C -7.396601 -1.174207 0.392851
C 2.970422 2.829538 -1.216726
C -2.971556 2.827875 1.217431
C 7.653940 1.432417 0.692375
C -7.654374 1.429314 -0.692085
H 0.888293 1.376153 -0.699753
H -0.888784 1.375547 0.700090
H 0.985147 -2.776367 0.563211
H -0.983795 -2.776638 -0.564104
H 3.478004 -2.780669 0.375624
H -3.476647 -2.782118 -0.376472
H 5.376589 0.335216 -0.581803
H -5.376607 0.332644 0.581897
H 7.495474 -0.462517 -1.232677
H 8.017363 -2.063400 -0.556855
H -7.495243 -0.466176 1.232359
H -8.016395 -2.067058 0.555969
H 3.779589 3.530068 -1.469347
H 2.403012 3.208868 -0.344283
H 2.288863 2.715718 -2.082076
H -3.781034 3.527981 1.470229
H -2.404334 3.207656 0.345063
H -2.289929 2.714163 2.082742
H 8.780553 2.094067 2.336932
H 7.915428 3.338482 1.439729
H -8.781475 2.091011 -2.336289
H -7.916937 3.335533 -1.438668


