%chk=000209776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209776

0 1
O 0.669946 -0.201656 -3.127191
O 2.182831 2.990759 0.052693
O -2.943589 3.054648 -1.104982
N 2.035958 -0.261038 -1.234268
N 2.407785 0.683360 -0.221245
C 1.110620 1.867353 -1.862076
C -0.325561 2.365427 -1.680004
C 1.165282 0.381127 -2.201096
C 1.953318 2.008083 -0.598840
C -1.077944 1.645943 -0.560071
C 1.784985 -1.627071 -0.806076
C 3.698014 0.493232 0.420085
C -2.497909 2.161844 -0.425339
C -3.297394 1.471168 0.641885
C -3.967555 0.239890 0.343354
C 1.675676 -2.594459 -1.822571
C 3.947369 1.260451 1.573417
C 1.688938 -1.989919 0.546595
C 4.646051 -0.429610 -0.049500
C -4.698767 -0.401359 1.378651
C -3.379795 2.034628 1.893461
C 1.476406 -3.929645 -1.469262
C 5.152493 1.087354 2.255481
C 1.496532 -3.333620 0.877073
C 5.842210 -0.591597 0.653708
C -3.932010 -0.361794 -0.955859
C -4.760443 0.200561 2.675432
C -4.121188 1.389355 2.923615
C 1.390352 -4.303916 -0.123860
C 6.098932 0.161518 1.803340
C -5.365003 -1.638364 1.102318
C -4.581835 -1.546905 -1.192069
C -5.305176 -2.196779 -0.149117
H 1.594872 2.456401 -2.687056
H -0.878798 2.250896 -2.639113
H -0.310648 3.460104 -1.476691
H -1.102421 0.547965 -0.731582
H -0.554437 1.769168 0.413115
H 1.731041 -2.302510 -2.873772
H 3.216113 1.993516 1.920876
H 1.765920 -1.241719 1.335606
H 4.460066 -1.017526 -0.948599
H -2.885970 2.980975 2.117487
H 1.388021 -4.684022 -2.251264
H 5.354040 1.680897 3.147390
H 1.425984 -3.622940 1.925604
H 6.580408 -1.310052 0.297309
H -3.394130 0.140099 -1.760117
H -5.328002 -0.302413 3.458321
H -4.169946 1.858857 3.905362
H 1.238936 -5.348115 0.142477
H 7.034193 0.030250 2.343956
H -5.919830 -2.122533 1.905072
H -4.558283 -2.008324 -2.179275
H -5.808457 -3.137441 -0.368189


%chk=000209776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209776

0 1
O -0.113485 -0.403453 -2.445864
O 2.434210 2.994064 -0.104348
O -2.534018 3.825610 0.292232
N 1.783568 -0.382740 -1.023895
N 2.525402 0.631342 -0.300758
C 0.880375 1.734904 -1.610700
C -0.477152 2.391270 -1.262861
C 0.766987 0.220544 -1.798150
C 1.994461 1.918013 -0.577984
C -1.055347 1.925473 0.096956
C 1.743831 -1.741481 -0.547582
C 3.864689 0.374052 0.158298
C -2.427492 2.563707 0.359128
C -3.594500 1.727762 0.813352
C -3.915346 0.402213 0.319458
C 1.492639 -2.775394 -1.482480
C 4.367804 1.135470 1.242916
C 1.918085 -2.037144 0.827050
C 4.677756 -0.596445 -0.479375
C -5.014705 -0.315588 0.944923
C -4.390846 2.309754 1.817877
C 1.408859 -4.109530 -1.030627
C 5.693767 0.924561 1.677751
C 1.847978 -3.377949 1.259749
C 5.995188 -0.805455 -0.020861
C -3.256017 -0.225202 -0.792158
C -5.764233 0.303089 1.998364
C -5.469945 1.601976 2.417274
C 1.591227 -4.418461 0.337179
C 6.510833 -0.047199 1.055688
C -5.359234 -1.629531 0.483715
C -3.615743 -1.505686 -1.220644
C -4.668439 -2.223329 -0.572973
H 1.244372 2.191075 -2.554008
H -1.179264 2.148884 -2.082642
H -0.356907 3.487649 -1.239850
H -1.096072 0.826820 0.174672
H -0.391251 2.291465 0.906403
H 1.349611 -2.532007 -2.537846
H 3.736884 1.890421 1.716603
H 2.105073 -1.233490 1.544962
H 4.288319 -1.176640 -1.320549
H -4.145643 3.325196 2.145910
H 1.207450 -4.908308 -1.752437
H 6.084210 1.519997 2.509958
H 1.987917 -3.606922 2.321639
H 6.620560 -1.558944 -0.511729
H -2.470554 0.296086 -1.344597
H -6.584555 -0.258697 2.461334
H -6.055123 2.076676 3.211643
H 1.534619 -5.456887 0.680389
H 7.535672 -0.211998 1.404755
H -6.187833 -2.156091 0.972480
H -3.083185 -1.955536 -2.064999
H -4.937255 -3.227465 -0.918144


