%chk=000260957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260957

0 1
P -0.206706 -0.093112 1.103857
O 2.912368 -2.649740 -0.822946
O -4.593074 0.258202 -0.109959
O 2.630449 3.011134 -0.760446
N 0.429661 -1.635861 0.440687
N -1.771985 0.056890 0.201884
N 0.687667 1.323886 0.456622
C 0.627341 -1.750138 -1.037677
C 1.599504 -2.144567 1.214367
C -2.499161 1.297584 0.629928
C -2.647602 -1.141067 0.415998
C 2.085310 1.375934 0.981620
C 0.661553 1.571635 -1.017259
C 1.595002 -2.894819 -1.361734
C 2.925818 -1.986629 0.459356
C -3.756493 1.425272 -0.250169
C -3.902754 -0.960215 -0.457972
C 2.667889 2.765365 0.659584
C 1.290214 2.948551 -1.291686
H 1.021750 -0.816395 -1.513456
H -0.370992 -1.948895 -1.492378
H 1.406316 -3.233223 1.390437
H 1.676617 -1.694847 2.227217
H -1.850506 2.191135 0.478999
H -2.809447 1.292337 1.699856
H -2.963196 -1.285809 1.474277
H -2.111031 -2.066433 0.103888
H 2.755271 0.592488 0.535706
H 2.086524 1.232592 2.085089
H -0.391842 1.567389 -1.380446
H 1.212309 0.790317 -1.600140
H 1.246308 -3.863816 -0.962003
H 1.796994 -2.984083 -2.444265
H 3.163909 -0.918405 0.252496
H 3.773261 -2.463441 0.982218
H -4.423809 2.236576 0.088386
H -3.499923 1.555918 -1.315541
H -3.653795 -0.935546 -1.532852
H -4.667161 -1.730416 -0.256456
H 2.116404 3.568653 1.178952
H 3.746468 2.830206 0.883709
H 1.454735 3.127269 -2.368385
H 0.693033 3.766323 -0.852163


%chk=000260957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260957

0 1
P 0.267745 -0.026262 1.220219
O 2.181668 -3.802345 -0.881951
O -4.181862 0.185641 -0.289872
O 1.962501 3.882223 -0.681487
N 0.818919 -1.505165 0.395671
N -1.374375 0.068806 0.392833
N 0.930987 1.417540 0.396440
C 0.791308 -1.726088 -1.071865
C 1.532673 -2.541065 1.183174
C -2.165641 1.303737 0.644168
C -2.240586 -1.130822 0.537472
C 2.102510 2.075794 1.017875
C 0.822477 1.702898 -1.052773
C 0.910806 -3.228208 -1.372741
C 2.676506 -3.145968 0.350957
C -3.314838 1.373085 -0.377483
C -3.386834 -1.038690 -0.485742
C 2.034159 3.593418 0.762139
C 0.782677 3.226257 -1.273948
H 1.624880 -1.192152 -1.577793
H -0.156791 -1.330787 -1.485007
H 0.848967 -3.359827 1.497095
H 1.942532 -2.088090 2.106318
H -1.507152 2.183930 0.541271
H -2.596658 1.310473 1.673230
H -2.677005 -1.202294 1.561797
H -1.639015 -2.039562 0.355062
H 3.055983 1.685702 0.593935
H 2.101935 1.873985 2.106106
H -0.099213 1.231126 -1.438774
H 1.695896 1.286657 -1.604403
H 0.055313 -3.772002 -0.917872
H 0.906907 -3.411185 -2.461340
H 3.401338 -2.351174 0.077382
H 3.204332 -3.932742 0.918494
H -3.976774 2.232304 -0.177014
H -2.893557 1.455240 -1.403766
H -2.965416 -1.051778 -1.515234
H -4.100395 -1.871151 -0.364801
H 1.142974 4.017296 1.274819
H 2.946243 4.102524 1.116515
H 0.819981 3.477401 -2.347564
H -0.142904 3.649518 -0.824341


