%chk=000213590.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213590

0 1
O 1.810810 2.553822 0.224826
O -4.548714 -1.108029 2.088391
O 2.332850 -0.259157 -1.669611
N 0.151913 1.081165 -0.239500
N -3.287846 -0.027492 0.525185
N 5.523577 1.132552 1.378990
C -2.039067 -0.100792 1.328448
C -0.982419 -0.963048 0.607046
C -1.500529 1.316689 1.611347
C -0.365086 -0.260114 -0.609613
C -0.864169 1.977846 0.381965
C 1.484402 1.445859 -0.193939
C -4.489190 -0.560845 0.999858
C 2.571835 0.463034 -0.724125
C 3.824641 0.503214 -0.003731
C 4.907013 -0.444465 -0.174102
C -5.652649 -0.413135 0.066112
C 5.961314 -0.038237 0.706169
C 4.243669 1.448182 0.941585
C 5.080295 -1.583616 -0.978679
C -6.360067 -1.562403 -0.310282
C -6.052161 0.848400 -0.392922
C 7.169833 -0.748090 0.801667
C 6.274137 -2.281409 -0.883506
C 7.305902 -1.869652 -0.002642
C -7.460161 -1.448060 -1.165071
C -7.156138 0.956401 -1.243309
C -7.856749 -0.190653 -1.632231
H -2.297082 -0.593270 2.311274
H -1.429636 -1.926451 0.290844
H -0.187075 -1.228624 1.332144
H -0.753053 1.253621 2.428385
H -2.312567 1.961636 2.001140
H 0.441060 -0.889230 -1.056768
H -1.122656 -0.128190 -1.415696
H -1.631167 2.220866 -0.384646
H -0.377509 2.942816 0.669080
H -3.222472 0.393749 -0.394251
H 3.694549 2.319888 1.294741
H 6.067313 1.649696 2.045403
H 4.281677 -1.884321 -1.659546
H 7.959106 -0.429225 1.474280
H -6.056484 -2.538205 0.072879
H -5.515638 1.743259 -0.079560
H 6.435117 -3.167020 -1.497253
H 8.224964 -2.453486 0.034723
H -8.011620 -2.339356 -1.461741
H -7.473036 1.935231 -1.600290
H -8.716035 -0.103550 -2.296568


%chk=000213590-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213590

0 1
O 1.644577 2.424903 0.610265
O -4.920206 0.243126 2.174648
O 2.244517 -0.358798 -1.453857
N 0.087805 0.730650 0.240648
N -3.353216 -0.445997 0.609684
N 5.601783 1.160973 1.391570
C -2.246384 -0.467122 1.594460
C -1.076764 -1.318542 1.051493
C -1.748465 0.966793 1.921442
C -0.334437 -0.640230 -0.127066
C -1.013534 1.603804 0.726432
C 1.370381 1.249475 0.187117
C -4.639781 -0.082619 0.975311
C 2.494709 0.392910 -0.450145
C 3.835135 0.520374 0.104578
C 5.011084 -0.243393 -0.316356
C -5.687273 -0.110616 -0.110371
C 6.104243 0.176476 0.512703
C 4.256506 1.368021 1.151936
C 5.238306 -1.233803 -1.304766
C -7.045543 -0.154352 0.295092
C -5.379803 -0.068801 -1.496174
C 7.404121 -0.354803 0.394278
C 6.535901 -1.772992 -1.431055
C 7.605101 -1.341647 -0.594526
C -8.077773 -0.182698 -0.665157
C -6.413770 -0.093184 -2.457791
C -7.764927 -0.157099 -2.045228
H -2.649387 -0.914421 2.522751
H -1.439292 -2.314081 0.729300
H -0.357477 -1.483588 1.874939
H -1.063826 0.911837 2.789595
H -2.609354 1.592336 2.214771
H 0.538849 -1.231133 -0.429698
H -0.990205 -0.576677 -1.021914
H -1.723651 1.766286 -0.110404
H -0.569446 2.574136 0.998246
H -3.183256 -0.818921 -0.325038
H 3.670660 2.111412 1.686803
H 6.153769 1.661607 2.086381
H 4.417374 -1.554408 -1.950681
H 8.227435 -0.022007 1.035778
H -7.261220 -0.158359 1.368548
H -4.342205 0.022367 -1.841127
H 6.730252 -2.537958 -2.190869
H 8.600623 -1.780867 -0.721906
H -9.123483 -0.222187 -0.341135
H -6.167249 -0.051858 -3.524395
H -8.566205 -0.176524 -2.792209


