%chk=000254136.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254136

0 1
O -0.322931 2.065470 1.205354
O -3.048264 -0.603672 -1.140307
O -0.917115 2.234422 -0.970471
O -3.520279 0.374117 0.848464
O 5.196722 -0.622635 -0.693281
O -1.066561 -2.671283 1.058735
N -0.820450 -0.433549 1.515846
C -1.159767 0.065219 0.172819
C -0.460874 -0.704413 -0.970000
C 1.037369 -0.638242 -0.908396
C -0.804414 1.567987 0.027843
C -2.714325 -0.016160 0.040618
C 1.758065 -1.689235 -0.307586
C 1.724605 0.443160 -1.465674
C 3.148789 -1.665036 -0.247005
C 3.821094 -0.547590 -0.813961
C 3.123380 0.498255 -1.419649
C -0.795419 -1.796159 1.860027
C 3.925092 -2.778235 0.371195
C 0.028021 3.491225 1.263103
C -4.474959 -0.771940 -1.448628
C -0.413878 -2.051605 3.290448
C -1.232044 4.317537 1.384919
C -5.059338 0.549814 -1.894975
C 5.979102 0.459304 -1.250091
H -0.809574 -1.768937 -0.941730
H -0.833560 -0.313709 -1.945031
H -0.614868 0.283021 2.218888
H 1.211442 -2.539949 0.108954
H 1.174260 1.255119 -1.945165
H 3.639276 1.345356 -1.858832
H 3.374474 -3.274767 1.178968
H 4.881054 -2.421564 0.786194
H 4.172274 -3.542558 -0.381124
H 0.622530 3.738265 0.365750
H 0.656567 3.504556 2.172373
H -4.977265 -1.188076 -0.557747
H -4.414451 -1.524105 -2.257002
H 0.590681 -1.677327 3.530486
H -0.411061 -3.136877 3.487456
H -1.122088 -1.600874 3.999609
H -1.814457 4.302465 0.450609
H -1.892200 3.937496 2.176990
H -1.005994 5.365924 1.613774
H -5.126685 1.260866 -1.057621
H -4.440420 1.023888 -2.669210
H -6.068850 0.425386 -2.304104
H 5.823664 0.525034 -2.330853
H 5.742355 1.400342 -0.746165
H 7.002674 0.136469 -1.020416


%chk=000254136-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000254136

0 1
O -0.272201 1.981304 1.155394
O -3.100192 -0.539640 -1.253288
O -1.071021 2.135534 -1.027982
O -3.477496 0.090150 0.958140
O 5.345008 -0.535614 -0.679522
O -1.725122 -2.613805 1.151576
N -0.734366 -0.539386 1.445040
C -1.139878 -0.052221 0.121818
C -0.404030 -0.795447 -1.054218
C 1.109894 -0.696843 -0.975835
C -0.841665 1.462304 -0.001272
C -2.701615 -0.176149 0.015145
C 1.864165 -1.652178 -0.242326
C 1.810775 0.340184 -1.634920
C 3.270216 -1.594628 -0.141649
C 3.942166 -0.530427 -0.813667
C 3.219474 0.430013 -1.558683
C -1.080113 -1.800177 1.886767
C 4.065831 -2.623085 0.635147
C 0.039836 3.449070 1.154560
C -4.579054 -0.638269 -1.481256
C -0.661826 -2.137989 3.311951
C -1.195317 4.257914 1.555146
C -5.163722 0.734382 -1.821244
C 6.095832 0.505857 -1.381186
H -0.738674 -1.845175 -1.008568
H -0.781688 -0.358771 -1.992602
H -0.261950 0.127947 2.057375
H 1.335987 -2.477704 0.250968
H 1.253844 1.079191 -2.223258
H 3.735627 1.237131 -2.087248
H 3.401092 -3.382088 1.081877
H 4.652691 -2.147731 1.442898
H 4.797963 -3.135068 -0.016048
H 0.397848 3.721094 0.146605
H 0.857253 3.536191 1.887483
H -5.039508 -1.067181 -0.574430
H -4.657452 -1.346852 -2.320682
H 0.093250 -1.444115 3.719838
H -0.263417 -3.165336 3.338560
H -1.554357 -2.111472 3.962728
H -1.993605 4.154793 0.801738
H -1.583965 3.929170 2.533864
H -0.926931 5.328080 1.629276
H -5.082989 1.419020 -0.960767
H -4.641843 1.181857 -2.684290
H -6.233883 0.626830 -2.078731
H 5.937367 0.449444 -2.475996
H 5.820795 1.516738 -1.020870
H 7.152363 0.305352 -1.148961


