%chk=000185104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185104

0 1
O -3.161512 0.930557 0.950194
O -6.737284 -0.838315 0.036760
O -5.716729 1.307775 -1.608619
O -2.426958 -1.128644 0.122686
O -4.442562 -2.517926 1.060268
O -2.309655 3.258433 -0.802014
O 3.711771 0.876782 0.858267
O 8.641066 1.514118 0.368623
O 8.328506 -0.661665 -0.056182
N 3.125053 -0.902406 -0.484992
C -5.233839 0.924111 -0.317599
C -5.334639 -0.610009 -0.155616
C -3.756532 1.367098 -0.308408
C -4.556781 -1.101718 1.086128
C -3.149940 -0.460146 1.179964
C -3.587914 2.891112 -0.284149
C -1.043170 -0.994876 0.061391
C -0.422805 -1.973900 -0.732815
C -0.320934 0.027939 0.682733
C 0.956746 -1.920196 -0.899779
C 1.063577 0.070376 0.517654
C 1.706580 -0.899463 -0.271825
C 4.045974 -0.007879 0.094961
C 5.484653 -0.267832 -0.319516
C 6.396300 0.836154 0.212483
C 7.834203 0.422428 0.146171
H -5.005912 -1.140535 -1.077722
H -5.841349 1.437078 0.462662
H -3.183830 0.907621 -1.147800
H -5.141868 -0.905979 2.019068
H -2.643566 -0.572902 2.159837
H -3.713176 3.301114 0.734562
H -4.297687 3.373951 -0.991208
H -6.900713 -1.794673 0.211673
H -6.642593 0.980023 -1.721821
H -3.767990 -2.799963 0.388368
H -1.595606 2.896315 -0.231818
H -1.020212 -2.749365 -1.207743
H -0.825213 0.791060 1.276427
H 1.448229 -2.671926 -1.515853
H 1.644082 0.864756 1.004632
H 3.470410 -1.633511 -1.109414
H 5.822054 -1.257641 0.070535
H 5.579893 -0.340309 -1.423597
H 6.126313 1.095888 1.268413
H 6.236607 1.792469 -0.337022
H 9.610251 1.287319 0.350951


%chk=000185104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185104

0 1
O -3.228607 1.043604 0.878061
O -6.741230 -1.058050 -0.113240
O -6.031825 1.303838 -1.586786
O -2.430334 -1.105941 0.055760
O -4.523159 -2.480636 1.207977
O -2.476980 3.442399 -0.517894
O 3.905767 0.745459 1.145367
O 8.832363 1.506405 0.019502
O 8.452512 -0.762404 0.327208
N 3.214952 -0.864890 -0.416356
C -5.383250 0.914063 -0.334744
C -5.345716 -0.612095 -0.183923
C -3.945607 1.458315 -0.376147
C -4.579117 -1.019346 1.087545
C -3.172659 -0.383843 1.103197
C -3.861019 2.983654 -0.394233
C -1.016825 -0.974263 0.009063
C -0.360294 -1.819708 -0.912379
C -0.273244 -0.071555 0.801929
C 1.038665 -1.764817 -1.032433
C 1.132407 -0.021606 0.687014
C 1.800656 -0.869004 -0.233944
C 4.177497 -0.109164 0.248901
C 5.620249 -0.427139 -0.169404
C 6.539295 0.785968 0.049951
C 7.996468 0.389020 0.143605
H -4.845050 -1.052567 -1.072997
H -5.928440 1.338064 0.537487
H -3.403775 1.038403 -1.244726
H -5.135619 -0.677454 1.976700
H -2.668255 -0.506824 2.078102
H -4.342649 3.389968 0.520951
H -4.390304 3.363853 -1.281058
H -6.742095 -2.020697 0.127069
H -6.890047 0.807957 -1.637689
H -3.797026 -2.792332 0.603677
H -1.955978 3.031494 0.219046
H -0.950245 -2.508160 -1.524685
H -0.771420 0.613131 1.493547
H 1.540647 -2.425117 -1.750907
H 1.716398 0.672945 1.293126
H 3.566410 -1.513965 -1.124690
H 5.990681 -1.266522 0.452090
H 5.668198 -0.771617 -1.219855
H 6.247338 1.284022 0.996429
H 6.420929 1.549533 -0.738376
H 9.780635 1.220318 0.123062


