%chk=000117887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117887

0 1
S 5.859802 1.517440 -0.059202
O 3.092120 2.363388 -0.000131
O 0.585561 2.017359 0.009981
O -1.407480 -3.679885 -0.106577
O 1.132726 -3.336235 -0.090414
O 5.812582 2.225992 1.466934
O 7.043918 0.687052 0.016796
O 5.779944 2.546879 -1.044750
O -8.149437 1.698780 0.103603
N -2.032490 1.815475 0.007241
N 3.780487 -3.129981 0.208365
C -0.500315 -0.079135 -0.017753
C 2.028552 0.176496 0.000991
C 2.215993 -1.230505 0.008511
C -0.319813 -1.504532 -0.044261
C 0.679135 0.773772 -0.000828
C 1.019430 -2.101881 -0.040594
C -1.801432 0.463303 -0.012890
C -2.957042 -0.440551 -0.033625
C 3.150434 1.024000 -0.002601
C 3.518446 -1.765753 0.045442
C -1.437201 -2.331262 -0.071110
C 4.467907 0.489305 -0.012042
C -2.772288 -1.789382 -0.062864
C 4.644511 -0.872540 0.022121
C -4.322064 0.127412 -0.023868
C -4.945810 0.427973 1.202568
C -4.996966 0.349657 -1.232914
C -6.230807 0.956228 1.226049
C -6.288190 0.879944 -1.233491
C -6.887849 1.174767 -0.000006
H -3.607997 -2.495513 -0.079175
H 5.659585 -1.300161 0.039308
H -2.967183 2.187690 0.013902
H -1.253870 2.479353 0.022654
H 4.669808 -3.479558 -0.114207
H 3.003961 -3.781825 0.072711
H -4.416208 0.241031 2.139053
H -4.511360 0.106043 -2.179856
H 2.105181 2.728378 0.000794
H -0.435844 -4.052663 -0.107796
H -6.738582 1.196566 2.159006
H -6.812638 1.052191 -2.168415
H 6.671980 2.304862 1.912752
H -8.579796 1.825025 -0.779510


%chk=000117887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117887

0 1
S 6.068805 1.426295 0.265368
O 3.137414 2.307765 0.433686
O 0.721355 2.070217 0.294369
O -1.333724 -3.645845 -0.547588
O 1.130990 -3.432081 -0.397157
O 5.587508 2.539129 1.631797
O 7.282441 0.509860 0.798985
O 6.214902 2.257645 -1.110652
O -8.236927 1.732709 0.223096
N -1.866410 1.887450 0.141041
N 3.742286 -3.247662 -0.243428
C -0.406611 -0.059486 -0.004419
C 2.101750 0.114293 0.092542
C 2.251298 -1.305074 -0.082885
C -0.255128 -1.481404 -0.194144
C 0.782318 0.747752 0.131978
C 1.055118 -2.116881 -0.228281
C -1.722223 0.530268 0.024420
C -2.894862 -0.327342 -0.109186
C 3.248320 0.951320 0.228689
C 3.567427 -1.894227 -0.094602
C -1.417232 -2.293599 -0.362743
C 4.525636 0.335751 0.186397
C -2.712533 -1.698076 -0.314270
C 4.706882 -1.032705 0.042059
C -4.274572 0.234229 -0.047508
C -4.693812 1.080701 1.021432
C -5.233062 -0.116516 -1.036230
C -6.012428 1.563842 1.095745
C -6.555214 0.366459 -0.977741
C -6.944849 1.211271 0.090961
H -3.576444 -2.363589 -0.401739
H 5.722287 -1.445639 0.046076
H -2.791472 2.312575 0.092447
H -0.995791 2.440830 0.228356
H 4.674768 -3.655456 -0.247430
H 2.887070 -3.816995 -0.352104
H -3.995652 1.322170 1.830814
H -4.931700 -0.757890 -1.871603
H 2.072122 2.505081 0.402887
H -0.302868 -3.874481 -0.527016
H -6.341172 2.197882 1.923999
H -7.273651 0.090476 -1.759999
H 4.665413 2.866813 1.352570
H -8.828373 1.427163 -0.509091


