Calculated total energies (E₀), zero-point energies (ZPE), thermal corrections (H_T), heats of sublimation (ΔH_sub), and solid-phase heats of formation (ΔH_f,solid, kJ mol⁻¹) for the title compounds.

Comp.	E 0	ZPE	H T	A	ν	σ tot 2	ΔHf,gas	ΔHsub	ΔHf,solid
A1	−689.06	243.34	28.58	177.07	0.11	317.26	141.20	88.89	52.31
A2	−788.13	220.11	30.79	179.67	0.08	372.88	−42.91	86.48	−129.39
A3	−942.28	237.13	36.16	193.45	0.08	396.33	145.87	92.13	53.74
B1	−893.13	246.41	35.53	205.75	0.18	262.03	203.85	107.37	96.48
B2	−992.2	223.14	37.72	208.41	0.20	221.32	27.42	107.37	−79.95
B3	−1146.35	239.91	43.18	222.73	0.20	199.53	215.81	111.85	103.96
C1	−1097.22	251.37	42.4	231.44	0.09	268.52	233.29	106.39	126.91
C2	−1196.28	227.9	44.42	231.21	0.09	216.6	233.29	103.32	−51.27
C3	−1350.42	243.77	50.26	243.59	0.11	189.65	52.05	110.7	158.57
D1	−1136.45	328.11	46.37	254.12	0.05	483.02	115.08	118.99	−3.91
D2	−1334.59	281.64	50.97	260.08	0.05	355.62	−253.38	117.15	−370.53
D3	−1642.9	316.55	61.34	286.26	0.08	218.84	115.31	133.39	−18.08
E1	−689.01	238.7	28.64	177.48	0.12	309.62	273.99	90.03	183.96
E2	−788.08	215.28	30.95	179.9	0.14	202.68	81.29	85.18	−3.89
E3	−942.23	232.06	36.48	193.38	0.13	193.81	229.75	89.37	140.38
F1	−893.1	244.41	35.47	206.65	0.09	421.15	278.87	103.22	175.65
F2	−992.17	220.88	37.85	209.37	0.14	259.25	89.45	102.38	−12.93
F3	−1146.32	237.5	43.5	222.92	0.16	213.8	284.19	108.53	175.66
G1	−1097.2	251.11	42.72	235.15	0.08	256.55	291.28	105.62	185.66
G2	−1196.26	227.71	45.03	237.85	0.11	163.51	110.93	105.21	5.72
G3	−1350.41	244.26	50.59	251.83	0.14	130.06	304.47	112.65	191.82
H1	−1136.44	329.82	45.68	241.05	0.10	313.8	148.82	116.2	32.62
H2	−1334.57	282.41	50.42	247.54	0.05	318.34	−209.73	108.58	−318.31
H3	−1642.88	317.16	60.47	267.61	0.05	330.14	178.68	120.9	57.78
I1	−705.05	209.13	28.5	171.55	0.15	272.86	289.59	89.19	200.40
I2	−804.11	185.91	30.51	174.02	0.15	285.68	113.59	91.34	22.25
I3	−958.27	203.41	35.66	188.29	0.14	238.96	301.19	92.71	208.48
J1	−909.1	211.53	35.76	204.06	0.09	208.03	399.06	89.52	309.54
J2	−1008.17	188.04	38.17	206.98	0.08	175.4	221.30	86.61	134.69
J3	−1162.32	205.11	43.49	220.71	0.08	164.38	408.55	92.38	316.17
K1	−909.12	213.41	35.15	203.36	0.11	272.75	362.10	95.86	266.24
K2	−1008.18	189.8	37.51	206.11	0.15	165.98	184.51	94.33	90.18
K3	−1162.33	206.42	43.02	219.97	0.17	133.26	376.91	99.37	277.55
L1	−1152.42	293.81	45.78	250.82	0.07	252.15	298.32	111.89	186.43
L2	−1350.56	246.75	50.51	256.52	0.09	124.28	−339.73	108.62	−448.35
L3	−1658.86	280.26	61.46	284.08	0.12	75.96	323.39	123.53	199.86