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	hartrees
Energy at 0K	-156.921809
Energy at 298.15K	-156.929752
HF Energy	-156.163501
Nuclear repulsion energy	117.096996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3230	3148
2	A	3144	3065
3	A	3131	3052
4	A	3114	3035
5	A	3107	3029
6	A	3069	2992
7	A	3034	2957
8	A	3027	2951
9	A	1693	1650
10	A	1512	1474
11	A	1505	1467
12	A	1488	1451
13	A	1458	1421
14	A	1410	1374
15	A	1347	1313
16	A	1314	1281
17	A	1294	1261
18	A	1202	1172
19	A	1096	1068
20	A	1041	1015
21	A	1015	989
22	A	983	959
23	A	926	903
24	A	864	842
25	A	792	772
26	A	647	630
27	A	428	417
28	A	313	305
29	A	231	225
30	A	106	104

Atom	x (Å)	y (Å)	z (Å)
C1	1.719	-0.248	-0.296
C2	0.540	0.525	0.308
C3	-0.715	-0.300	0.344
C4	-1.856	0.019	-0.280
H5	-0.666	-1.226	0.913
H6	1.503	-0.536	-1.327
H7	2.630	0.354	-0.291
H8	1.916	-1.161	0.272
H9	0.799	0.834	1.327
H10	0.357	1.439	-0.264
H11	-1.939	0.933	-0.859
H12	-2.729	-0.619	-0.228

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.5332	2.5174	3.5845	2.8470	1.0920	1.0918	1.0930	2.1561	2.1680	3.8848	4.4634
C2	1.5332		1.5031	2.5187	2.2109	2.1739	2.1801	2.1763	1.0955	1.0937	2.7707	3.5049
C3	2.5174	1.5031		1.3383	1.0881	2.7869	3.4670	2.7697	2.1320	2.1314	2.1126	2.1169
C4	3.5845	2.5187	1.3383		2.0949	3.5614	4.4977	3.9904	3.2084	2.6289	1.0847	1.0829
H5	2.8470	2.2109	1.0881	2.0949		3.1930	3.8482	2.6614	2.5612	3.0876	3.0691	2.4335
H6	1.0920	2.1739	2.7869	3.5614	3.1930		1.7705	1.7650	3.0682	2.5185	3.7717	4.3726
H7	1.0918	2.1801	3.4670	4.4977	3.8482	1.7705		1.7669	2.4898	2.5182	4.6401	5.4462
H8	1.0930	2.1763	2.7697	3.9904	2.6614	1.7650	1.7669		2.5177	3.0784	4.5304	4.7027
H9	2.1561	1.0955	2.1320	3.2084	2.5612	3.0682	2.4898	2.5177		1.7591	3.5051	4.1198
H10	2.1680	1.0937	2.1314	2.6289	3.0876	2.5185	2.5182	3.0784	1.7591		2.4253	3.7092
H11	3.8848	2.7707	2.1126	1.0847	3.0691	3.7717	4.6401	4.5304	3.5051	2.4253		1.8523
H12	4.4634	3.5049	2.1169	1.0829	2.4335	4.3726	5.4462	4.7027	4.1198	3.7092	1.8523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.006	C1	C2	H9	109.079
C1	C2	H10	110.115	C2	C1	H6	110.678
C2	C1	H7	111.185	C2	C1	H8	110.816
C2	C3	C4	124.750	C2	C3	H5	116.210
C3	C2	H9	109.253	C3	C2	H10	109.311
C3	C4	H11	121.005	C3	C4	H12	121.573
C4	C3	H5	119.034	H6	C1	H7	108.333
H6	C1	H8	107.762	H7	C1	H8	107.940
H9	C2	H10	106.942	H11	C4	H12	117.422

All results from a given calculation for CH₂CHCH₂CH₃ (1-Butene)

using model chemistry: CCSD(T)/cc-pVTZ

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 CH2CHCH2CH3 (1-Butene)

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHCH₂CH₃ (1-Butene)