%chk=000257848.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257848

0 1
P -4.021803 -0.230632 0.496365
O -5.541938 0.443861 0.409245
O -3.744255 -0.991099 1.737896
N -3.918300 -1.194263 -0.980240
N -3.022659 1.174571 0.230841
C -5.094542 -2.100858 -1.137865
C -6.402429 -1.293128 -1.089376
C -6.579488 -0.553687 0.237254
C -1.607120 0.934761 0.275371
C -3.540639 2.095427 -0.816916
C -0.751006 1.300641 -0.778995
C -1.058872 0.371379 1.452192
C 1.176250 0.546433 0.500800
C 0.627254 1.109823 -0.659592
C 0.313568 0.183932 1.555130
C 2.623041 0.339915 0.648267
C 3.434067 -0.023435 -0.356461
C 4.882293 -0.229055 -0.197949
C 5.662521 0.653654 0.567542
C 5.498443 -1.321512 -0.834539
C 7.037630 0.442020 0.697422
C 6.872023 -1.529684 -0.696280
C 7.644825 -0.649141 0.068760
H -5.118822 -2.923202 -0.384113
H -5.008995 -2.597470 -2.133313
H -6.411364 -0.558740 -1.924662
H -7.263586 -1.965764 -1.265986
H -3.032776 -1.716360 -1.115538
H -7.494727 0.072566 0.244929
H -6.600850 -1.229736 1.114964
H -3.461661 1.708951 -1.847790
H -2.995106 3.055177 -0.762579
H -4.606432 2.324901 -0.609318
H -1.147276 1.733607 -1.693892
H -1.708352 0.083318 2.288284
H 1.280285 1.409721 -1.479087
H 0.726425 -0.251942 2.465856
H 3.009041 0.488586 1.661404
H 3.050850 -0.206226 -1.363370
H 5.195835 1.508506 1.053600
H 4.901541 -2.010230 -1.429228
H 7.637273 1.130446 1.290695
H 7.343292 -2.380147 -1.186130
H 8.715039 -0.812985 0.173003


%chk=000257848-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257848

0 1
P -4.107055 -0.578731 0.315912
O -4.975086 0.943178 0.346512
O -3.682714 -1.132227 1.750400
N -5.247412 -1.533156 -0.610662
N -2.818528 -0.248960 -0.823047
C -6.692012 -1.482144 -0.243289
C -7.202408 -0.024564 -0.211267
C -6.401516 0.840673 0.777139
C -1.424229 -0.223082 -0.486842
C -3.238950 0.286582 -2.140705
C -0.499658 0.401463 -1.376679
C -0.909300 -0.823229 0.698782
C 1.407622 -0.185080 0.079023
C 0.877971 0.413054 -1.098442
C 0.469668 -0.794764 0.961738
C 2.834462 -0.199629 0.425020
C 3.870182 0.313116 -0.313935
C 5.298100 0.300964 0.041032
C 5.806674 -0.264021 1.249385
C 6.235020 0.883454 -0.862948
C 7.185774 -0.245200 1.533956
C 7.616244 0.903082 -0.578548
C 8.101520 0.337957 0.623308
H -6.881957 -1.962980 0.741733
H -7.246800 -2.055474 -1.007275
H -7.130364 0.417789 -1.221599
H -8.268407 -0.024579 0.088828
H -4.902657 -2.453782 -0.902355
H -6.752946 1.884487 0.795312
H -6.442153 0.426885 1.804843
H -2.679337 -0.223759 -2.945033
H -3.066661 1.377094 -2.206567
H -4.311411 0.087297 -2.282724
H -0.849263 0.890645 -2.288951
H -1.589676 -1.291848 1.413916
H 1.547047 0.907945 -1.811293
H 0.835702 -1.263240 1.884244
H 3.064815 -0.680373 1.386997
H 3.642150 0.789486 -1.278656
H 5.119806 -0.719451 1.971311
H 5.866598 1.324502 -1.798035
H 7.552768 -0.685038 2.468581
H 8.313337 1.357799 -1.291614
H 9.173535 0.350757 0.849096


