%chk=000228915.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228915

0 1
O -2.026081 -1.268768 0.278528
O -2.074860 1.036287 0.006589
O -4.954050 0.703384 -1.618141
O -4.908793 -1.443205 -1.364863
N -4.716397 -0.305333 -0.982679
C -4.203229 -0.123186 0.469672
C -1.303074 -0.052855 0.545932
C -0.052788 -0.128522 -0.319787
C -3.328633 -1.334192 0.868332
C -3.381851 1.182723 0.571488
C 1.229613 -0.004149 0.505776
C 2.472290 -0.083888 -0.391688
C 3.763106 0.040033 0.428771
C -5.455271 -0.046832 1.341512
C 5.005561 -0.039629 -0.468638
C 6.297361 0.084176 0.350152
C 7.540888 0.004629 -0.546709
C 8.830038 0.127155 0.262650
H -1.165865 0.078403 1.633704
H -0.067163 -1.085332 -0.889669
H -0.104187 0.668190 -1.096365
H -3.724365 -2.289794 0.457818
H -3.232663 -1.404711 1.965988
H -3.294256 1.510439 1.622180
H -3.815089 1.999330 -0.047981
H 1.231292 0.954193 1.061819
H 1.268312 -0.805943 1.269475
H 2.435457 0.714223 -1.158800
H 2.472329 -1.039353 -0.951945
H 3.764765 0.995607 0.987925
H 3.801693 -0.758444 1.194750
H -5.203097 0.083365 2.402052
H -6.065644 -0.959642 1.268018
H -6.102600 0.797835 1.061037
H 4.968145 0.758339 -1.235309
H 5.005095 -0.994866 -1.028513
H 6.300191 1.039019 0.910077
H 6.337145 -0.713327 1.116738
H 7.540730 -0.951206 -1.106421
H 7.503808 0.803350 -1.313237
H 8.880260 1.080838 0.800182
H 9.711421 0.069589 -0.385841
H 8.917453 -0.672930 1.006422


%chk=000228915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228915

0 1
O -1.655245 -0.801096 0.567303
O -2.492754 1.138834 -0.585825
O -5.028831 -0.681459 -1.657883
O -4.219151 -2.509984 -0.576489
N -4.456321 -1.251847 -0.661173
C -4.115401 -0.360659 0.587692
C -1.411715 0.611353 0.253343
C -0.109327 0.714986 -0.524787
C -2.899191 -0.966828 1.325039
C -3.781445 1.071774 0.111433
C 1.126275 0.314643 0.311267
C 2.440357 0.416134 -0.494437
C 3.688758 0.032952 0.331434
C -5.383703 -0.384801 1.468589
C 5.006194 0.130225 -0.470527
C 6.256080 -0.245578 0.357019
C 7.574770 -0.143582 -0.443146
C 8.818275 -0.516403 0.393025
H -1.395534 1.185994 1.214601
H -0.198581 0.067137 -1.416440
H -0.013502 1.757492 -0.882574
H -3.023852 -2.049766 1.466838
H -2.820941 -0.460759 2.313164
H -3.766899 1.726320 1.011468
H -4.532270 1.434466 -0.604757
H 1.197234 0.967256 1.207287
H 0.992485 -0.719630 0.681484
H 2.559380 1.450696 -0.879661
H 2.374493 -0.241832 -1.385737
H 3.754254 0.690980 1.223492
H 3.569379 -1.001185 0.716629
H -5.222417 0.226931 2.373423
H -5.623561 -1.415267 1.783344
H -6.249207 0.026570 0.920754
H 5.122608 1.163443 -0.860136
H 4.943543 -0.531190 -1.359988
H 6.318222 0.413944 1.248233
H 6.143146 -1.279949 0.744326
H 7.513523 -0.804402 -1.331979
H 7.685263 0.889460 -0.831989
H 8.918885 0.149617 1.270939
H 9.747041 -0.434910 -0.201328
H 8.746683 -1.555080 0.767734


