%chk=000228036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228036

0 1
O -2.474285 0.726953 1.149939
O -2.677904 -2.241602 -0.617374
O -3.274620 -0.260581 -2.297779
O -1.393810 -0.231443 2.874865
O -4.887175 1.904872 -1.276023
O 1.710681 -1.827109 0.255162
N 0.205113 -0.136065 0.432036
C -0.924422 -1.067675 0.588890
C -1.652609 -1.243641 -0.770949
C -2.429420 0.028168 -1.185798
C -3.300546 0.572359 -0.023939
C -1.949956 -0.539770 1.633062
C -3.844266 1.982908 -0.305521
C 1.517236 -0.625870 0.280734
C 2.575661 0.447886 0.164789
C 3.952699 -0.177551 -0.098617
C 5.045308 0.892942 -0.188665
C 6.419637 0.261201 -0.453642
C 7.517528 1.317983 -0.545187
H -0.531917 -2.067384 0.934472
H -0.945320 -1.558219 -1.569302
H -1.734028 0.802361 -1.582748
H -4.133798 -0.133669 0.200783
H -2.768019 -1.262696 1.840079
H -0.026868 0.852383 0.412161
H -4.341307 2.406845 0.590057
H -3.059790 2.677063 -0.652092
H -2.298628 -3.141653 -0.708372
H -3.789745 -1.094050 -2.122926
H 2.608140 1.048700 1.098102
H 2.324778 1.160366 -0.647500
H -0.789028 0.544958 2.825144
H 4.188796 -0.907560 0.703470
H 3.918343 -0.776537 -1.031317
H 5.081107 1.482360 0.747843
H 4.806978 1.616710 -0.991650
H -4.560117 1.436608 -2.089995
H 6.663037 -0.462329 0.349580
H 6.389301 -0.328825 -1.390956
H 7.603171 1.894924 0.382681
H 8.494143 0.857246 -0.734114
H 7.329415 2.028933 -1.357684


%chk=000228036-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228036

0 1
O -2.431240 0.961014 1.038413
O -2.665133 -2.277893 -0.520364
O -2.798070 -0.413249 -2.461123
O -1.734822 -0.051994 3.068693
O -4.419045 1.855070 -2.005843
O 1.633401 -1.985938 0.927757
N 0.168528 -0.185982 0.890259
C -1.033312 -1.035851 0.903550
C -1.540988 -1.314939 -0.537989
C -2.132113 -0.050709 -1.198157
C -3.117129 0.690708 -0.251252
C -2.130036 -0.326514 1.730760
C -3.569941 2.042228 -0.829338
C 1.452576 -0.731209 0.895583
C 2.600900 0.277588 0.885728
C 3.705178 -0.099858 -0.131455
C 4.943430 0.816621 -0.026495
C 6.043285 0.459225 -1.052417
C 7.284517 1.370894 -0.943319
H -0.744776 -1.991719 1.377376
H -0.707544 -1.711356 -1.149757
H -1.313771 0.635211 -1.480738
H -4.007345 0.049654 -0.075872
H -3.049611 -0.934860 1.789602
H 0.026256 0.818711 0.747218
H -4.181964 2.575051 -0.083976
H -2.677261 2.663839 -1.063666
H -2.320062 -3.197654 -0.412425
H -3.273029 -1.271500 -2.281306
H 3.044426 0.282631 1.902043
H 2.229633 1.303429 0.692607
H -0.808178 0.306553 3.068203
H 3.993400 -1.153148 0.044294
H 3.293505 -0.051302 -1.159931
H 5.365298 0.749857 0.998396
H 4.640805 1.875321 -0.170765
H -3.986032 1.160596 -2.579497
H 6.344711 -0.598110 -0.908430
H 5.622045 0.525861 -2.076218
H 7.744274 1.296813 0.060319
H 8.054025 1.096636 -1.687859
H 7.014702 2.430776 -1.110909


