%chk=000229396.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229396

0 1
O 2.793775 -0.441230 -0.379969
O 3.395510 0.203002 1.729083
C -2.887505 -0.943258 -0.022982
C -3.585052 1.663438 -0.053755
C -3.557619 0.281476 0.657772
C -1.368896 -0.778893 -0.115740
C -3.136279 -2.179860 0.880912
C -3.535077 -1.229406 -1.387535
C -3.983771 2.712740 1.014804
C -4.645637 1.698412 -1.172409
C -2.220063 2.057277 -0.636310
C -0.650217 -0.379560 1.025354
C -0.655463 -1.058715 -1.293137
C 0.739402 -0.245914 1.007539
C 0.733146 -0.934633 -1.342748
C 1.409117 -0.526606 -0.184124
C 3.709813 -0.086395 0.605578
C 5.067426 -0.166916 -0.033082
C 6.022709 0.866246 0.578140
C 7.430775 0.722321 0.012315
H -4.606425 0.005358 0.886971
H -3.074578 0.420381 1.647083
H -2.753964 -2.030395 1.895027
H -2.637851 -3.067258 0.475894
H -4.202552 -2.410292 0.961037
H -3.131928 -2.135199 -1.851153
H -4.616243 -1.375624 -1.281973
H -3.391914 -0.391481 -2.084010
H -3.244018 2.769481 1.818717
H -4.952162 2.481262 1.466660
H -4.059609 3.712966 0.577090
H -5.621679 1.358417 -0.816174
H -4.773232 2.711916 -1.565489
H -4.357427 1.058828 -2.015893
H -2.238498 3.071057 -1.047882
H -1.432577 2.026753 0.124731
H -1.912721 1.384038 -1.443417
H -1.185822 -0.161031 1.951319
H -1.178108 -1.380865 -2.193881
H 1.281301 0.067828 1.902425
H 1.290418 -1.147056 -2.251663
H 5.463350 -1.197528 0.105177
H 4.990393 -0.031534 -1.134550
H 6.039577 0.751365 1.682981
H 5.639762 1.889781 0.389446
H 7.859503 -0.263348 0.228552
H 7.450439 0.858584 -1.075390
H 8.105668 1.471069 0.445758


%chk=000229396-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229396

0 1
O 2.897734 -0.302886 -0.468191
O 3.583901 0.408863 1.672445
C -2.877026 -0.934688 0.007027
C -3.805463 1.670060 -0.126346
C -3.606519 0.310796 0.635916
C -1.346836 -0.722708 -0.112776
C -3.099102 -2.119414 1.007287
C -3.513900 -1.356802 -1.341561
C -4.185150 2.722639 0.957835
C -4.984007 1.605620 -1.139750
C -2.525226 2.161073 -0.850676
C -0.586105 -0.315804 1.015626
C -0.631272 -0.976969 -1.312117
C 0.815307 -0.152028 0.973997
C 0.768170 -0.824146 -1.383517
C 1.487556 -0.411122 -0.243476
C 3.850932 0.090619 0.495076
C 5.230420 0.054293 -0.142478
C 6.348285 0.539728 0.801319
C 7.735190 0.469548 0.129222
H -4.617553 -0.036515 0.938848
H -3.080059 0.545580 1.583368
H -2.735428 -1.867978 2.020111
H -2.559721 -3.022741 0.668566
H -4.175658 -2.363757 1.082172
H -3.132534 -2.343005 -1.667210
H -4.609259 -1.444462 -1.227792
H -3.315826 -0.632105 -2.150187
H -3.351372 2.880331 1.667964
H -5.070659 2.397756 1.537689
H -4.423987 3.697146 0.491590
H -5.915537 1.273860 -0.641716
H -5.170286 2.609521 -1.567366
H -4.785209 0.919449 -1.979394
H -2.699279 3.166321 -1.280808
H -1.668648 2.229650 -0.156063
H -2.228613 1.488994 -1.674824
H -1.089937 -0.116289 1.968207
H -1.161856 -1.298198 -2.212955
H 1.368673 0.165512 1.857973
H 1.313852 -1.020613 -2.311624
H 5.422550 -0.984643 -0.477506
H 5.198647 0.661843 -1.067946
H 6.338898 -0.071796 1.722688
H 6.131952 1.576202 1.121281
H 7.984628 -0.566288 -0.169589
H 7.774308 1.099959 -0.779300
H 8.526222 0.820592 0.816060


