%chk=000184587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184587

0 1
O -3.856349 2.472106 0.433372
O 0.524790 -2.875195 0.178878
O -0.101267 -2.134502 2.205325
N -1.751245 -0.439602 0.123717
N -1.623922 1.832754 0.454080
N 1.218765 1.618789 0.012649
C -3.167906 0.049759 0.147548
C -3.903559 -0.244166 -1.193478
C -3.032347 1.600675 0.352827
C -3.888225 -0.532855 1.360361
C -3.263290 0.512647 -2.360741
C -3.939409 -1.746677 -1.480498
C -0.944440 0.582330 0.300311
C 0.533318 0.489765 0.354240
C 1.195873 -0.698445 0.723528
C 3.308922 0.424839 0.352880
C 2.597406 -0.726460 0.708736
C 4.806830 0.436165 0.312428
C 2.569556 1.582463 0.014720
C 5.320030 0.046815 -1.085153
C 0.447730 -1.913034 1.155248
C 6.843822 0.054724 -1.143086
H -4.954575 0.125982 -1.066552
H -4.912030 -0.147316 1.441901
H -3.937825 -1.629520 1.294821
H -3.365550 -0.304464 2.299469
H -2.209498 0.238538 -2.494505
H -3.774561 0.282447 -3.303101
H -3.315691 1.599381 -2.229193
H -2.923798 -2.162254 -1.544379
H -4.443127 -1.956740 -2.429860
H -4.466129 -2.299125 -0.695209
H -1.161321 2.729811 0.532049
H 3.126750 -1.646231 0.970586
H 5.198707 1.436389 0.592346
H 5.224973 -0.256784 1.072419
H 3.074393 2.515974 -0.269637
H 4.936384 -0.956652 -1.358763
H 4.909305 0.743019 -1.843418
H 7.256563 1.044816 -0.916908
H 7.283527 -0.654251 -0.431786
H 7.201247 -0.225001 -2.141927
H -0.028428 -3.676411 0.395154


%chk=000184587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184587

0 1
O -3.772360 2.635620 -0.072047
O -0.024086 -2.252233 -1.326304
O 0.525977 -3.042326 0.792712
N -1.793568 -0.425797 0.287355
N -1.527823 1.841511 -0.007390
N 1.200570 1.647354 0.217495
C -3.168269 0.187224 0.252685
C -4.011123 -0.400475 -0.934285
C -2.926370 1.714950 0.033636
C -3.850318 -0.013636 1.628606
C -3.305143 -0.179049 -2.294224
C -4.336709 -1.896609 -0.725023
C -0.939857 0.566720 0.131608
C 0.531441 0.454266 0.134731
C 1.212525 -0.794635 0.116931
C 3.323715 0.434040 0.386424
C 2.614916 -0.788004 0.277098
C 4.833536 0.470186 0.514130
C 2.555214 1.625450 0.324559
C 5.557131 0.180355 -0.833342
C 0.519634 -2.116829 -0.046879
C 7.092378 0.198337 -0.683861
H -4.955888 0.181624 -0.932612
H -4.865435 0.420127 1.607524
H -3.909214 -1.086193 1.872058
H -3.274384 0.485515 2.427503
H -2.338498 -0.714153 -2.326628
H -3.938365 -0.559838 -3.115918
H -3.118590 0.892635 -2.490567
H -3.408183 -2.476148 -0.571736
H -4.855282 -2.297130 -1.615448
H -4.994181 -2.065910 0.145457
H -0.978314 2.698968 -0.089966
H 3.153747 -1.741573 0.310179
H 5.155891 1.461230 0.887677
H 5.166742 -0.277326 1.261115
H 3.048014 2.603846 0.374388
H 5.227665 -0.804461 -1.219042
H 5.240723 0.931024 -1.583506
H 7.447207 1.183266 -0.326918
H 7.431347 -0.564607 0.041873
H 7.588528 -0.009110 -1.648935
H -0.520542 -3.113700 -1.379716


