%chk=000112945.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000112945

0 1
P 1.388071 -0.496172 -0.541001
O 2.441626 -1.251763 -1.570633
O 1.670803 1.082876 -0.950461
O 1.534774 -0.796565 0.906905
C -0.198460 -0.964392 -1.392751
C -1.271754 -0.110096 -0.809072
C -1.902332 -0.434896 0.414962
C -1.670228 1.043787 -1.504731
C -2.912015 0.406915 0.908305
C -1.506355 -1.638831 1.203410
C 3.849766 -1.209085 -1.226412
C 1.911953 2.015214 0.137218
C -2.676838 1.870477 -1.002123
C -3.299315 1.550375 0.207157
C 4.171649 -2.131370 -0.065327
C 0.653735 2.294528 0.936930
H -0.397678 -2.048263 -1.250805
H -0.096360 -0.830596 -2.490957
H -1.182856 1.302017 -2.444852
H -3.400159 0.164010 1.850874
H -2.202127 -1.859841 2.021574
H -1.441882 -2.541440 0.582366
H -0.508094 -1.495159 1.667311
H 4.304724 -1.564357 -2.175051
H 4.164180 -0.164594 -1.045336
H 2.739550 1.646181 0.772391
H 2.247092 2.905138 -0.435128
H -2.975843 2.759197 -1.553338
H -4.085933 2.189868 0.602665
H 5.252634 -2.227652 0.080806
H 3.739668 -1.779051 0.887500
H 3.764571 -3.138083 -0.230060
H 0.753003 3.212803 1.526329
H -0.224304 2.415850 0.284571
H 0.418536 1.482869 1.643863


%chk=000112945-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112945

0 1
P 1.429729 -0.527562 -0.416958
O 2.465291 -1.405997 -1.497321
O 1.786284 1.132523 -0.820972
O 1.588395 -0.822283 1.148979
C -0.206753 -0.919418 -1.261486
C -1.378158 -0.114680 -0.739251
C -2.080860 -0.500787 0.444076
C -1.786245 1.038622 -1.455588
C -3.176800 0.294996 0.864766
C -1.680642 -1.729635 1.242886
C 3.942727 -1.329302 -1.321770
C 2.068404 2.090173 0.292052
C -2.880226 1.818183 -1.023084
C -3.579064 1.443201 0.145995
C 4.437797 -2.283642 -0.229520
C 0.780626 2.717629 0.829702
H -0.337675 -2.006471 -1.126379
H -0.018861 -0.723206 -2.329491
H -1.235237 1.326902 -2.358419
H -3.721646 0.004816 1.771203
H -2.333968 -1.853641 2.122898
H -1.762111 -2.653634 0.636638
H -0.634258 -1.659264 1.595366
H 4.332862 -1.607275 -2.315388
H 4.230304 -0.280110 -1.112138
H 2.616218 1.563616 1.095877
H 2.726747 2.839555 -0.179210
H -3.183548 2.704215 -1.591409
H -4.431288 2.036909 0.495448
H 5.542268 -2.244567 -0.170015
H 4.018645 -2.007546 0.752985
H 4.140028 -3.321578 -0.457641
H 1.027489 3.492727 1.580153
H 0.202013 3.189023 0.017158
H 0.145315 1.957407 1.316957


