%chk=000299533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299533

0 1
O -1.562278 1.133578 -1.217925
O -1.275248 1.713048 1.992475
O -0.712725 4.528333 -0.303376
O -0.859464 -2.416925 -1.983534
O 2.475129 -0.265386 1.667667
O -4.252055 -4.019845 0.638703
O 5.213352 1.442725 -1.478358
N -1.630170 -1.040339 -0.290523
N 1.531109 0.828340 -0.118672
N -2.568865 -3.235975 -0.663627
N 3.940448 0.544586 0.058648
N 4.109603 1.287037 -1.063586
C 0.166123 0.604571 0.378730
C -0.509311 1.941984 0.804510
C -0.737735 0.053403 -0.765658
C -1.555754 2.250973 -0.286981
C -1.184929 3.475099 -1.144206
C -1.638959 -2.261862 -1.063646
C -2.535916 -0.848864 0.769665
C 2.611557 0.325187 0.612039
C -3.414854 -1.813608 1.124921
C -3.509500 -3.088634 0.428947
C 5.071997 -0.092221 0.791803
H 0.196724 -0.106115 1.256374
H 0.207955 2.776976 0.968358
H -0.189705 -0.297367 -1.683339
H -2.582618 2.311923 0.135791
H -2.035996 3.811903 -1.761167
H -0.323809 3.261616 -1.808616
H 1.650219 1.361983 -0.980270
H -0.703267 1.760333 2.791472
H -2.472329 0.119572 1.298766
H -1.459792 4.960300 0.164454
H -2.580643 -4.116982 -1.199944
H -4.106574 -1.684128 1.959671
H 5.938018 0.591543 0.822362
H 5.379912 -1.023919 0.286949
H 4.780449 -0.340944 1.829420


%chk=000299533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299533

0 1
O -1.788569 1.213656 -0.919471
O -1.275462 1.514125 2.177346
O -0.061822 4.500656 -0.241116
O -1.096768 -2.336944 -2.199886
O 2.415799 0.703767 1.937020
O -4.487184 -4.184215 0.440232
O 4.913976 0.573189 -1.926260
N -1.851383 -1.107590 -0.329499
N 1.422207 0.474287 -0.162871
N -2.792874 -3.214639 -0.844409
N 3.782949 0.650918 0.013581
N 3.761646 0.532646 -1.381863
C 0.076131 0.381231 0.414493
C -0.417114 1.744431 1.007161
C -0.965470 0.017074 -0.687100
C -1.293043 2.351957 -0.097018
C -0.535830 3.342146 -1.008084
C -1.863559 -2.234054 -1.203119
C -2.714061 -1.011821 0.766590
C 2.498309 0.613212 0.678793
C -3.608350 -2.001872 1.082486
C -3.707560 -3.207848 0.260875
C 5.035887 0.807749 0.770617
H 0.082151 -0.377200 1.217612
H 0.430062 2.402456 1.266302
H -0.486762 -0.291697 -1.634134
H -2.182549 2.832201 0.349524
H -1.191476 3.636133 -1.850764
H 0.377363 2.880701 -1.419602
H 1.601430 0.366173 -1.166720
H -0.701269 1.288339 2.952889
H -2.615808 -0.093641 1.356032
H -0.829611 5.079860 -0.005494
H -2.821676 -4.039291 -1.453154
H -4.271094 -1.912532 1.943479
H 5.561702 1.720321 0.441565
H 5.696461 -0.056683 0.586708
H 4.773319 0.874698 1.835561


