%chk=000182351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182351

0 1
O 2.000132 1.160178 -0.196984
O 3.686945 0.114671 -1.281426
O 4.021858 -1.617644 1.032121
O 0.863590 3.588063 0.202126
N -3.844271 -0.785475 0.198439
C 0.448433 -1.314973 -0.268315
C 1.743796 -1.153325 -1.095230
C -0.207344 0.051858 -0.171043
C -0.501047 -2.327418 -0.942030
C 0.820205 -1.833088 1.149445
C 2.647593 -0.155417 -0.375903
C -2.531505 -0.901014 -0.533774
C -1.604315 0.233120 -0.126354
C -1.885796 -2.279492 -0.288455
C 3.058008 -0.566415 1.069447
C 1.822959 -0.948845 1.893185
C 0.621401 1.176472 -0.086767
C -2.133919 1.498273 0.184439
C -3.598870 1.669491 0.465674
C -4.467973 0.545027 -0.113061
C 0.077235 2.465599 0.130047
C -1.296213 2.620000 0.303742
C -4.793760 -1.875163 -0.182515
C 4.829913 0.852989 -0.787667
H 2.267925 -2.113890 -1.238378
H 1.521929 -0.781603 -2.117564
H -0.085070 -3.349463 -0.881516
H -0.584902 -2.102555 -2.023499
H 1.213912 -2.863078 1.067067
H -0.107543 -1.911491 1.755336
H -2.683734 -0.785442 -1.647073
H -2.520950 -3.086006 -0.698402
H -1.815501 -2.468505 0.802190
H 3.624489 0.258092 1.564604
H 1.316987 -0.016915 2.227549
H 2.155767 -1.459382 2.819659
H -3.724805 1.694623 1.573188
H -3.965427 2.646347 0.092484
H -5.473136 0.579037 0.360952
H -4.620238 0.705717 -1.202666
H -1.697074 3.607863 0.521209
H 3.630752 -2.440042 0.671240
H -4.988218 -1.967431 -1.260808
H -5.755361 -1.711812 0.331020
H -4.404203 -2.837128 0.188248
H 5.397621 0.221967 -0.094140
H 4.511107 1.791794 -0.329541
H 5.397312 1.037082 -1.708200
H 1.817307 3.355046 0.016902


%chk=000182351-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182351

0 1
O 2.002414 1.184436 -0.089076
O 3.743543 0.128043 -1.307632
O 4.082401 -1.766811 0.908218
O 0.888953 3.619880 0.257459
N -3.914470 -0.776661 0.190170
C 0.441367 -1.295773 -0.236919
C 1.726784 -1.103361 -1.081741
C -0.240978 0.071629 -0.113956
C -0.521553 -2.308772 -0.901203
C 0.874215 -1.841199 1.170807
C 2.691441 -0.135617 -0.382143
C -2.585451 -0.916605 -0.473087
C -1.654986 0.244316 -0.090818
C -1.921085 -2.289264 -0.245447
C 3.147412 -0.634051 1.022061
C 1.914557 -0.955320 1.895293
C 0.585826 1.209000 -0.013025
C -2.198326 1.529436 0.174327
C -3.696368 1.698213 0.384838
C -4.512286 0.531116 -0.193221
C 0.043464 2.503999 0.178460
C -1.345413 2.650865 0.312491
C -4.840475 -1.885115 -0.129780
C 4.914897 0.862439 -0.793629
H 2.248941 -2.067602 -1.235998
H 1.493184 -0.695389 -2.081007
H -0.086422 -3.325811 -0.841089
H -0.627225 -2.065473 -1.978745
H 1.285417 -2.863488 1.018021
H -0.010207 -1.955362 1.822012
H -2.740524 -0.835114 -1.590178
H -2.535720 -3.087267 -0.698797
H -1.857465 -2.497365 0.839007
H 3.751208 0.151672 1.504482
H 1.440119 -0.006424 2.204917
H 2.267260 -1.456182 2.815536
H -3.891632 1.756278 1.474270
H -4.046868 2.651044 -0.056614
H -5.546163 0.571486 0.195741
H -4.571750 0.626031 -1.310167
H -1.754098 3.647875 0.506981
H 3.608848 -2.546099 0.521104
H -4.990395 -2.033501 -1.230820
H -5.824450 -1.668275 0.321745
H -4.479009 -2.833235 0.300514
H 5.489336 0.234353 -0.089399
H 4.612319 1.812029 -0.315224
H 5.524001 1.075595 -1.684906
H 1.821414 3.305698 0.115168


