%chk=000216564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216564

0 1
O -0.660295 1.599245 0.311820
O 1.597852 1.805663 -1.338059
O -1.049098 -0.838140 1.470816
O 4.312446 -0.161428 -0.350697
O 1.244964 -3.091478 2.172440
O 2.315527 -2.714765 -1.045825
O 1.163486 1.627874 1.660785
N 2.058422 -0.419060 -1.097397
N 0.584286 -1.853379 0.216666
C -0.197398 0.446644 -0.408965
C -1.164449 0.265251 -1.623623
C 1.222141 0.722424 -0.956731
C -0.276246 -0.764392 0.552047
C -2.513828 -0.294032 -1.225111
C -1.344135 1.590141 -2.366557
C 1.702707 -1.741840 -0.665487
C 3.495807 -0.211957 -1.503281
C 0.463626 -3.139603 0.998501
C -3.301846 0.338563 -0.252801
C -2.995678 -1.443342 -1.869133
C 0.093745 2.103177 1.379863
C -4.559258 -0.175064 0.073206
C -4.255627 -1.952457 -1.541575
C -0.697763 3.223318 1.985806
C -5.039148 -1.319874 -0.571556
C 0.201214 4.416627 2.277234
C 4.236407 1.056484 0.427655
C 2.672842 -3.242058 1.997144
H -0.660090 -0.465664 -2.313839
H -1.779449 2.358844 -1.711977
H -2.013678 1.471899 -3.226768
H -0.389036 1.992187 -2.731502
H 3.867544 -1.120405 -2.031656
H 3.563599 0.713318 -2.111613
H -0.573686 -3.221578 1.400404
H 0.752127 -3.980704 0.334548
H -2.916234 1.221257 0.261284
H -2.395553 -1.943477 -2.627059
H -5.164081 0.314587 0.834718
H -4.626166 -2.844776 -2.043380
H -1.172411 2.845576 2.921733
H -1.540355 3.515171 1.318664
H -6.018857 -1.719258 -0.316124
H 1.051754 4.136974 2.916289
H 0.614738 4.850709 1.356834
H -0.353390 5.209553 2.794767
H 5.042064 0.918524 1.157803
H 3.261933 1.121681 0.930439
H 4.414576 1.932522 -0.200654
H 3.013231 -3.468715 3.014463
H 3.098088 -2.295043 1.647159
H 2.908829 -4.056625 1.306781


%chk=000216564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216564

0 1
O -0.700286 1.781152 0.210609
O 1.616284 1.951663 -1.363393
O -1.031381 -0.625080 1.543910
O 4.411275 -0.149793 -0.654075
O 1.013257 -3.100114 2.216091
O 2.286763 -2.660780 -1.045357
O 1.130328 1.678567 1.644707
N 2.024565 -0.336214 -1.125688
N 0.569738 -1.707849 0.231224
C -0.196116 0.566034 -0.439034
C -1.161309 0.255101 -1.664007
C 1.227505 0.819936 -0.981539
C -0.245552 -0.601737 0.573951
C -2.500271 -0.348305 -1.233392
C -1.344758 1.507505 -2.556812
C 1.651407 -1.639804 -0.683178
C 3.405740 -0.193868 -1.686783
C 0.339130 -3.005226 0.948481
C -3.466872 0.410171 -0.524555
C -2.802257 -1.691005 -1.572726
C 0.063554 2.235989 1.308126
C -4.704928 -0.164361 -0.166898
C -4.043094 -2.267993 -1.218168
C -0.604055 3.421655 1.966133
C -4.999600 -1.504152 -0.512820
C 0.334857 4.180422 2.921893
C 4.398330 1.089983 0.150719
C 2.478533 -3.229990 2.126906
H -0.627132 -0.515512 -2.255873
H -1.891381 2.297379 -2.017841
H -1.930583 1.228455 -3.449928
H -0.378052 1.927756 -2.880116
H 3.627707 -1.095438 -2.272814
H 3.399372 0.723787 -2.302876
H -0.732723 -3.053275 1.186414
H 0.654705 -3.804027 0.251479
H -3.241442 1.442138 -0.237965
H -2.065491 -2.287988 -2.126457
H -5.439875 0.430265 0.387230
H -4.261667 -3.305881 -1.493341
H -1.484925 3.028825 2.512847
H -1.004912 4.080114 1.174278
H -5.962337 -1.946815 -0.234138
H 0.744037 3.503349 3.690396
H 1.186135 4.621990 2.375680
H -0.213222 4.994403 3.427190
H 5.297263 1.033763 0.782925
H 3.495254 1.152374 0.785987
H 4.445336 1.983269 -0.501794
H 2.809446 -3.495863 3.142060
H 2.951138 -2.275890 1.823544
H 2.768761 -4.019987 1.407287


