%chk=000128643.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128643

0 1
 S   -7.292900       3.687800     -0.4577000    
 S    6.934700       4.039200      6.4700000E-02
 O  -7.8000002E-02  -5.131800      -1.082600    
 O   -7.580600       3.556700      -2.061800    
 O    6.138600       4.738300       1.310000    
 O   -8.588900       3.761100      0.2012000    
 O   -6.300700       4.733200     -0.2611000    
 O    8.350400       4.056100      0.4031000    
 O    6.460200       4.643600      -1.170500    
 N   -4.730900      -1.449100       1.093900    
 N    5.120400      -1.623500      3.4100000E-02
 C   -1.229100      -3.332200     -0.1301000    
 C    1.338500      -3.395000     -0.4137000    
 C   -3.543800      -2.087500      0.6790000    
 C    3.850500      -2.218400     -0.1163000    
 C   2.9100001E-02  -4.008100     -0.5695000    
 C   -5.337900     -0.2322000      0.7272000    
 C    5.550800     -0.2824000      4.0800001E-02
 C   -1.674200      -3.542300       1.154200    
 C    2.480700      -4.071200     -0.8427000    
 C   -1.890700      -2.527000      -1.027300    
 C    1.452300      -2.130500      0.1638000    
 C   -2.848400      -2.910900       1.564600    
 C    3.736700      -3.483000     -0.6939000    
 C   -3.064800      -1.895500     -0.6169000    
 C    2.708200      -1.542100      0.3124000    
 C   -6.540500       2.179600     -2.0000001E-03
 C    6.402000       2.376500      5.5500001E-02
 C   -4.551900      0.8437000      0.3109000    
 C    4.858700      0.6779000     -0.6993000    
 C   -6.726400     -9.9500000E-02  0.7781000    
 C    6.669300      8.9900002E-02  0.7882000    
 C   -5.152700       2.048800     -5.3399999E-02
 C    5.283900       2.006400     -0.6920000    
 C   -7.327300       1.105400      0.4137000    
 C    7.094500       1.418200      0.7957000    
 H   -5.249700      -1.969400       1.795800    
 H    5.872500      -2.294700      0.1623000    
 H   -1.135700      -4.182300       1.846300    
 H    2.419300      -5.057000      -1.296100    
 H   -1.523700      -2.379200      -2.038400    
 H   0.5906000      -1.571300      0.5154000    
 H   -3.210700      -3.067500       2.577400    
 H    4.619500      -4.019300      -1.032800    
 H   -3.597000      -1.277800      -1.334900    
 H    2.769200     -0.5660000      0.7858000    
 H   -3.467800      0.7773000      0.2805000    
 H    3.997000      0.4149000      -1.306700    
 H   -7.350600     -0.9301000       1.097800    
 H    7.215900     -0.6471000       1.371200    
 H   -4.519500       2.870200     -0.3767000    
 H    4.726900       2.735300      -1.273600    
 H   -8.410200       1.182100      0.4545000    
 H    7.963200       1.685000       1.390900    
 H   -8.194100       2.830200      -2.323300    
 H    6.332600       4.361600       2.200500    


%chk=000128643-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128643

0 1
S -9.580386 2.305146 -0.807571
S 8.854538 3.133615 0.777470
O -0.221445 -3.731456 -2.174169
O -10.370256 0.844198 -1.653104
O 8.096150 3.725297 2.374914
O -10.515135 2.736538 0.442144
O -9.171430 3.383526 -1.943963
O 10.389959 2.712761 1.071401
O 8.498932 4.210336 -0.378190
N -4.676674 -0.576043 1.269485
N 5.475745 -1.853410 0.159546
C -1.195704 -2.231556 -0.571532
C 1.377168 -2.581944 -0.800931
C -3.539229 -1.103347 0.615116
C 4.114104 -2.039418 -0.173548
C -0.024392 -2.894108 -1.232726
C -5.802510 0.069758 0.729939
C 6.210437 -0.664090 0.305261
C -1.192566 -1.814418 0.787764
C 2.388168 -3.552113 -1.046402
C -2.404713 -2.107667 -1.308746
C 1.765905 -1.336415 -0.238295
C -2.345063 -1.262991 1.373506
C 3.728957 -3.293757 -0.732182
C -3.558644 -1.548415 -0.738488
C 3.110885 -1.061331 0.072772
C -8.077573 1.406709 -0.198011
C 7.799598 1.620183 0.594551
C -5.799475 0.684149 -0.557962
C 5.799981 0.574825 -0.271383
C -6.971821 0.163730 1.544204
C 7.451572 -0.727465 1.008989
C -6.944813 1.350356 -1.027967
C 6.593860 1.725042 -0.119785
C -8.118169 0.831019 1.084221
C 8.253384 0.415137 1.159722
H -4.676500 -0.675517 2.286978
H 6.007329 -2.715144 0.301163
H -0.294794 -1.949054 1.399370
H 2.093613 -4.501040 -1.505902
H -2.422207 -2.484459 -2.336639
H 1.015046 -0.559419 -0.062448
H -2.324499 -0.946247 2.423649
H 4.494724 -4.052853 -0.934725
H -4.482015 -1.503294 -1.321817
H 3.369422 -0.106295 0.537191
H -4.896342 0.676158 -1.171778
H 4.889337 0.630305 -0.871407
H -6.981415 -0.303753 2.535685
H 7.777307 -1.676631 1.450174
H -6.948048 1.843919 -2.004847
H 6.300872 2.676372 -0.574811
H -9.017999 0.911649 1.701542
H 9.207574 0.375067 1.693773
H -11.221732 1.165444 -2.071658
H 8.558484 4.577508 2.626655


