%chk=000200998.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200998

0 1
S 2.738123 1.466232 0.069210
S -3.262561 -2.171954 -0.356241
P -3.915260 -0.411338 -0.129379
O 4.223348 -2.816154 0.265822
O 3.294966 2.064911 -1.126753
O 2.928798 2.055128 1.379111
O -3.029332 0.791374 -0.866066
O -5.398585 -0.035542 -0.715845
O -4.022845 0.199753 1.392160
N 3.388085 -0.118254 0.157374
C 3.108931 -0.931846 1.367119
C 3.484179 -0.914595 -1.091618
C 4.176931 -2.035640 1.477711
C 4.538962 -2.018855 -0.893840
C 1.034888 1.247698 -0.179189
C 0.173564 1.183793 0.921257
C 0.526727 1.166427 -1.481539
C -1.197875 0.999823 0.740176
C -0.837257 0.977632 -1.695002
C -1.676604 0.889568 -0.572713
C -5.677822 -0.489032 -2.066559
C -4.817767 -0.586953 2.318187
H 2.097256 -1.395338 1.327512
H 3.154964 -0.273188 2.266565
H 3.794723 -0.243555 -1.927365
H 2.507801 -1.376572 -1.361824
H 3.918621 -2.792949 2.238159
H 5.178870 -1.614928 1.675222
H 5.553287 -1.597527 -0.777617
H 4.520980 -2.765055 -1.707110
H 0.571869 1.292905 1.937877
H 1.201064 1.258681 -2.341792
H -1.873297 0.970948 1.599401
H -1.258098 0.906736 -2.696357
H -5.601971 -1.581210 -2.154413
H -5.037254 0.030402 -2.790252
H -6.724562 -0.171518 -2.196692
H -4.726626 -0.001435 3.246780
H -4.393079 -1.589450 2.463238
H -5.867947 -0.621125 2.001585


%chk=000200998-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200998

0 1
S 2.865426 1.510143 0.265855
S -3.511500 -2.372628 0.167583
P -4.111820 -0.416834 -0.043723
O 4.397618 -2.903864 -0.027808
O 3.453638 2.335859 -1.006189
O 3.000582 2.001985 1.810157
O -3.040165 0.692221 -0.867220
O -5.547303 -0.099870 -0.932741
O -4.417526 0.508872 1.373679
N 3.760606 -0.152059 0.209605
C 3.346524 -1.078218 1.291985
C 3.728738 -0.781787 -1.132981
C 4.374719 -2.234670 1.280879
C 4.748402 -1.944074 -1.084969
C 1.023397 1.228670 -0.065377
C 0.174436 1.009966 1.033191
C 0.569514 1.281735 -1.395531
C -1.200512 0.813137 0.788270
C -0.803160 1.070653 -1.638160
C -1.670145 0.833119 -0.546847
C -5.807215 -0.865786 -2.176074
C -5.348309 -0.050948 2.387424
H 2.325722 -1.494426 1.133320
H 3.388596 -0.543414 2.256873
H 4.039157 -0.035697 -1.885234
H 2.724284 -1.187207 -1.392874
H 4.091052 -3.012098 2.008781
H 5.379997 -1.833040 1.523503
H 5.763802 -1.533555 -0.908401
H 4.729190 -2.516669 -2.026481
H 0.572943 1.035011 2.052490
H 1.265039 1.509247 -2.209582
H -1.902906 0.676106 1.616012
H -1.213715 1.098387 -2.651119
H -5.623967 -1.944395 -2.018194
H -5.173744 -0.481620 -2.993563
H -6.869030 -0.683509 -2.395693
H -5.257714 0.628073 3.247310
H -5.046676 -1.075899 2.671222
H -6.379779 -0.042918 1.996923


