%chk=000180410.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180410

0 1
S 0.729754 2.283687 0.243045
O -2.113186 -1.346565 -1.760753
O 0.984508 -0.698552 1.594085
O -6.048475 0.497610 1.502375
O -7.024104 0.784955 -0.494264
O 5.056668 -0.395461 -0.718979
O 3.158196 2.223211 -0.827839
O 5.178539 0.323529 1.430379
N -1.157745 -0.266492 -0.001418
N 2.433829 -1.084696 -0.129586
N -7.130259 -2.118059 -0.561470
N 3.007069 3.121271 1.301549
C 0.165986 -0.224215 -0.652914
C -4.676463 -1.431784 -0.680398
C -3.514736 -0.928273 0.178551
C -6.008672 -1.406899 0.095391
C -2.237767 -0.892502 -0.635089
C 0.479129 1.177697 -1.172324
C 1.213437 -0.659529 0.399195
C -6.452875 0.044697 0.264438
C 3.554885 -1.406058 0.771693
C 2.530949 2.535439 0.162156
C 4.672218 -0.386086 0.596216
C 4.459061 3.353796 1.471023
C 5.932605 0.679275 -1.163219
H 0.157704 -0.947317 -1.526482
H -4.748266 -0.832057 -1.613671
H -4.458603 -2.463577 -1.029641
H -3.750584 0.075693 0.597160
H -3.374358 -1.585463 1.064623
H -5.868323 -1.865362 1.116523
H -1.189502 0.055950 0.968834
H -0.362189 1.573951 -1.780895
H 1.372843 1.188709 -1.837261
H 2.688033 -0.941893 -1.107637
H -7.360982 -1.703326 -1.463260
H -6.901171 -3.095862 -0.714326
H 3.211273 -1.404405 1.842129
H 3.936132 -2.432035 0.550262
H -6.331589 1.433647 1.682689
H 2.426356 3.258039 2.126261
H 4.963530 2.444352 1.863891
H 4.629064 4.188687 2.168049
H 4.932501 3.603894 0.504431
H 5.307295 1.574944 -1.297988
H 6.317029 0.301377 -2.115580
H 6.731155 0.850257 -0.435754


%chk=000180410-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180410

0 1
S 0.471604 2.046843 -0.377643
O -2.055820 -1.249572 -1.970138
O 0.851903 -0.927982 1.927835
O -5.932347 -1.578433 2.027416
O -6.893634 0.454505 1.453181
O 5.173503 -0.476698 -0.345763
O 3.177921 1.785964 -1.003015
O 5.354761 0.807990 1.596807
N -1.046937 -0.875498 0.081708
N 2.606434 -1.048270 0.403679
N -7.142517 -0.489958 -1.177071
N 2.610030 3.425058 0.558719
C 0.305947 -0.827348 -0.472958
C -4.633727 -0.574896 -0.748502
C -3.484359 -1.243840 0.039123
C -6.072512 -1.042443 -0.335481
C -2.151184 -1.118832 -0.705223
C 0.546957 0.432949 -1.346809
C 1.278333 -0.937615 0.729200
C -6.363410 -0.622676 1.101239
C 3.666488 -1.002998 1.422461
C 2.324629 2.406720 -0.309553
C 4.811249 -0.108785 0.945004
C 3.988751 3.909410 0.762171
C 6.139311 0.406841 -1.047678
H 0.446459 -1.697566 -1.149739
H -4.575863 0.527682 -0.664673
H -4.500489 -0.830213 -1.817060
H -3.402944 -0.837712 1.063528
H -3.703478 -2.325701 0.147232
H -6.093188 -2.147892 -0.373493
H -1.094047 -0.814436 1.107056
H -0.238284 0.483172 -2.115646
H 1.540550 0.424285 -1.831464
H 2.913741 -0.986999 -0.570597
H -7.444016 0.448418 -0.896264
H -6.982740 -0.590669 -2.182147
H 3.245445 -0.601982 2.356924
H 4.063457 -2.016570 1.629764
H -6.116569 -1.249156 2.949713
H 1.855741 3.803011 1.134281
H 4.603643 3.154302 1.283638
H 3.954522 4.833621 1.360923
H 4.458347 4.131169 -0.211456
H 5.605819 1.324937 -1.341747
H 6.463372 -0.167512 -1.926501
H 6.989051 0.643570 -0.386778


