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	hartrees
Energy at 0K	-232.950367
Energy at 298.15K
HF Energy	-232.169667
Nuclear repulsion energy	195.155445

Atom	x (Å)	y (Å)	z (Å)
C1	-0.551	-0.011	0.484
C2	0.965	-0.079	0.666
C3	-1.071	-1.226	-0.280
C4	-0.980	1.292	-0.188
O5	1.688	-0.079	-0.572
H6	-0.974	-0.026	1.496
H7	-0.826	-2.153	0.241
H8	-2.155	-1.179	-0.394
H9	-0.622	-1.269	-1.272
H10	-0.588	2.163	0.342
H11	-0.633	1.330	-1.222
H12	-2.066	1.377	-0.211
H13	1.303	0.747	1.303
H14	1.242	-1.013	1.156
H15	1.636	0.804	-0.957

	C1	C2	C3	C4	O5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.5283	1.5266	1.5280	2.4764	1.0963	2.1723	2.1695	2.1619	2.1795	2.1724	2.1696	2.1640	2.1602	2.7433
C2	1.5283		2.5214	2.5278	1.4331	2.1101	2.7729	3.4738	2.7736	2.7462	2.8466	3.4751	1.0962	1.0903	1.9656
C3	1.5266	2.5214		2.5214	3.0019	2.1458	1.0911	1.0907	1.0898	3.4794	2.7589	2.7873	3.4693	2.7307	3.4508
C4	1.5280	2.5278	2.5214		3.0240	2.1378	3.4745	2.7438	2.8045	1.0922	1.0919	1.0901	2.7805	3.4715	2.7696
O5	2.4764	1.4331	3.0019	3.0240		3.3710	3.3584	4.0008	2.6912	3.3229	2.7922	4.0428	2.0842	2.0135	0.9656
H6	1.0963	2.1101	2.1458	2.1378	3.3710		2.4737	2.5089	3.0550	2.5042	3.0564	2.4642	2.4127	2.4495	3.6766
H7	2.1723	2.7729	1.0911	3.4745	3.3584	2.4737		1.7655	1.7642	4.3233	3.7823	3.7680	3.7506	2.5320	4.0299
H8	2.1695	3.4738	1.0907	2.7438	4.0008	2.5089	1.7655		1.7690	3.7637	3.0488	2.5635	4.3065	3.7370	4.3150
H9	2.1619	2.7736	1.0898	2.8045	2.6912	3.0550	1.7642	1.7690		3.7933	2.5997	3.1959	3.7952	3.0716	3.0818
H10	2.1795	2.7462	3.4794	1.0922	3.3229	2.5042	4.3233	3.7637	3.7933		1.7730	1.7637	2.5505	3.7542	2.9116
H11	2.1724	2.8466	2.7589	1.0919	2.7922	3.0564	3.7823	3.0488	2.5997	1.7730		1.7548	3.2351	3.8285	2.3440
H12	2.1696	3.4751	2.7873	1.0901	4.0428	2.4642	3.7680	2.5635	3.1959	1.7637	1.7548		3.7474	4.3035	3.8196
H13	2.1640	1.0962	3.4693	2.7805	2.0842	2.4127	3.7506	4.3065	3.7952	2.5505	3.2351	3.7474		1.7667	2.2849
H14	2.1602	1.0903	2.7307	3.4715	2.0135	2.4495	2.5320	3.7370	3.0716	3.7542	3.8285	4.3035	1.7667		2.8145
H15	2.7433	1.9656	3.4508	2.7696	0.9656	3.6766	4.0299	4.3150	3.0818	2.9116	2.3440	3.8196	2.2849	2.8145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O5	113.447	C1	C2	H13	109.988
C1	C2	H14	110.036	C1	C3	H7	111.076
C1	C3	H8	110.877	C1	C3	H9	110.323
C1	C4	H10	111.487	C1	C4	H11	110.934
C1	C4	H12	110.816	C2	C1	C3	111.247
C2	C1	C4	111.600	C2	C1	H6	105.844
C2	O5	H15	108.483	C3	C1	C4	111.264
C3	C1	H6	108.677	C4	C1	H6	107.966
O5	C2	H13	110.275	O5	C2	H14	105.054
H7	C3	H8	108.038	H7	C3	H9	107.984
H8	C3	H9	108.439	H10	C4	H11	108.540
H10	C4	H12	107.834	H11	C4	H12	107.065
H13	C2	H14	107.799

All results from a given calculation for C₄H₁₀O (1-Propanol, 2-methyl-)

using model chemistry: MP2/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C4H10O (1-Propanol, 2-methyl-)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₄H₁₀O (1-Propanol, 2-methyl-)