%chk=000288623.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288623

0 1
O -0.662073 0.148573 0.097701
O 0.574921 2.219907 -0.550671
N 3.645864 -2.326247 0.447852
C 4.956850 -0.305104 -0.065133
C 3.479269 -0.031806 -0.075019
C 5.057381 -1.804435 0.332392
C 2.770660 -1.203844 0.278080
C 2.805548 1.150237 -0.370888
C 1.373203 -1.223928 0.363125
C 0.698543 -0.037687 0.065495
C 1.410809 1.146821 -0.300425
C -1.492853 -1.026477 0.351849
C -2.913017 -0.541152 0.240375
C -3.954250 -1.434018 0.537893
C -3.203957 0.770514 -0.156427
C 1.204310 3.453026 -0.970237
C -5.281279 -1.009565 0.435794
C -4.534133 1.187940 -0.254624
C -5.573528 0.300317 0.040172
H 5.405524 -0.125271 -1.058597
H 5.488189 0.347484 0.648544
H 5.558084 -2.396004 -0.462045
H 5.630121 -1.940266 1.267033
H 3.478179 -2.871696 1.292020
H 3.357286 2.043187 -0.645923
H 0.850765 -2.133816 0.631095
H -1.262332 -1.400551 1.366407
H -1.262565 -1.793978 -0.411027
H -3.734603 -2.453328 0.846633
H -2.383808 1.459177 -0.384468
H 0.333390 4.106680 -1.110335
H 1.740094 3.309403 -1.912566
H 1.857457 3.836914 -0.181898
H -6.089931 -1.701062 0.665369
H -4.758919 2.207863 -0.562162
H -6.608198 0.627192 -0.037683


%chk=000288623-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288623

0 1
O -0.684726 0.222012 -0.012024
O 0.687454 2.389058 -0.612020
N 3.640805 -2.297482 0.399239
C 5.005055 -0.404595 -0.158010
C 3.524831 -0.037795 -0.120078
C 5.033856 -1.794491 0.559127
C 2.778069 -1.196557 0.199107
C 2.869726 1.173248 -0.404196
C 1.365832 -1.166447 0.245827
C 0.707690 0.056825 -0.033713
C 1.454760 1.233146 -0.358444
C -1.505918 -0.948927 0.288796
C -2.968775 -0.539620 0.233742
C -3.963714 -1.497560 0.554095
C -3.358149 0.769724 -0.135057
C 1.425564 3.602545 -0.949672
C -5.332014 -1.153052 0.504395
C -4.729332 1.113111 -0.183378
C -5.720036 0.156440 0.134432
H 5.355676 -0.503011 -1.204960
H 5.660579 0.327725 0.344923
H 5.763765 -2.487565 0.106295
H 5.293051 -1.664200 1.633326
H 3.333992 -3.100936 0.948766
H 3.453000 2.064238 -0.656011
H 0.796841 -2.067836 0.489697
H -1.250713 -1.340683 1.297464
H -1.299980 -1.752144 -0.452102
H -3.671579 -2.515835 0.843595
H -2.581578 1.500939 -0.375665
H 0.656232 4.373383 -1.106622
H 2.017827 3.474665 -1.878407
H 2.099333 3.912849 -0.125397
H -6.092351 -1.901863 0.754084
H -5.022453 2.129800 -0.469440
H -6.781620 0.425891 0.095989


