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	hartrees
Energy at 0K	-270.960271
Energy at 298.15K	-270.971084
HF Energy	-270.016730
Nuclear repulsion energy	239.296199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3150	3150
2	A	3142	3142
3	A	3135	3135
4	A	3123	3123
5	A	3070	3070
6	A	3065	3065
7	A	3051	3051
8	A	3029	3029
9	A	2995	2995
10	A	2911	2911
11	A	1796	1796
12	A	1553	1553
13	A	1547	1547
14	A	1540	1540
15	A	1538	1538
16	A	1529	1529
17	A	1465	1465
18	A	1459	1459
19	A	1439	1439
20	A	1414	1414
21	A	1395	1395
22	A	1340	1340
23	A	1309	1309
24	A	1225	1225
25	A	1190	1190
26	A	1140	1140
27	A	1072	1072
28	A	1041	1041
29	A	997	997
30	A	949	949
31	A	930	930
32	A	808	808
33	A	793	793
34	A	667	667
35	A	413	413
36	A	393	393
37	A	305	305
38	A	268	268
39	A	241	241
40	A	211	211
41	A	99	99
42	A	75	75

Atom	x (Å)	y (Å)	z (Å)
C1	-1.370	-0.704	0.218
C2	-0.081	0.073	0.406
C3	1.058	-0.684	-0.306
C4	2.452	-0.136	0.008
C5	-0.240	1.522	-0.048
O6	-2.398	-0.246	-0.257
H7	-1.328	-1.771	0.540
H8	0.133	0.044	1.492
H9	1.017	-1.747	-0.018
H10	0.878	-0.649	-1.393
H11	3.226	-0.745	-0.476
H12	2.570	0.896	-0.344
H13	2.640	-0.149	1.091
H14	-0.418	1.565	-1.131
H15	-1.098	1.991	0.446
H16	0.657	2.110	0.181

	C1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5170	2.4836	3.8692	2.5109	1.2220	1.1155	2.1073	2.6151	2.7658	4.6483	4.2898	4.1414	2.8057	2.7190	3.4682
C2	1.5170		1.5415	2.5720	1.5269	2.4315	2.2306	1.1068	2.1671	2.1624	3.5190	2.8755	2.8144	2.1682	2.1719	2.1780
C3	2.4836	1.5415		1.5304	2.5721	3.4838	2.7552	2.1489	1.1022	1.1018	2.1760	2.1876	2.1778	2.8133	3.5172	2.8641
C4	3.8692	2.5720	1.5304		3.1616	4.8583	4.1526	2.7587	2.1574	2.1684	1.0979	1.0969	1.0990	3.5252	4.1615	2.8801
C5	2.5109	1.5269	2.5721	3.1616		2.7978	3.5182	2.1669	3.5022	2.7873	4.1635	2.8942	3.5188	1.0977	1.0961	1.0965
O6	1.2220	2.4315	3.4838	4.8583	2.7978		2.0270	3.0902	3.7380	3.4906	5.6507	5.0988	5.2164	2.8214	2.6816	3.8827
H7	1.1155	2.2306	2.7552	4.1526	3.5182	2.0270		2.5169	2.4106	3.1406	4.7779	4.8057	4.3224	3.8405	3.7710	4.3742
H8	2.1073	1.1068	2.1489	2.7587	2.1669	3.0902	2.5169		2.5034	3.0586	3.7502	3.1683	2.5464	3.0812	2.5301	2.5021
H9	2.6151	2.1671	1.1022	2.1574	3.5022	3.7380	2.4106	2.5034		1.7650	2.4688	3.0829	2.5336	3.7769	4.3201	3.8786
H10	2.7658	2.1624	1.1018	2.1684	2.7873	3.4906	3.1406	3.0586	1.7650		2.5226	2.5200	3.0861	2.5786	3.7759	3.1838
H11	4.6483	3.5190	2.1760	1.0979	4.1635	5.6507	4.7779	3.7502	2.4688	2.5226		1.7720	1.7763	4.3642	5.1998	3.8966
H12	4.2898	2.8755	2.1876	1.0969	2.8942	5.0988	4.8057	3.1683	3.0829	2.5200	1.7720		1.7762	3.1621	3.9092	2.3262
H13	4.1414	2.8144	2.1778	1.0990	3.5188	5.2164	4.3224	2.5464	2.5336	3.0861	1.7763	1.7762		4.1503	4.3553	3.1402
H14	2.8057	2.1682	2.8133	3.5252	1.0977	2.8214	3.8405	3.0812	3.7769	2.5786	4.3642	3.1621	4.1503		1.7692	1.7816
H15	2.7190	2.1719	3.5172	4.1615	1.0961	2.6816	3.7710	2.5301	4.3201	3.7759	5.1998	3.9092	4.3553	1.7692		1.7788
H16	3.4682	2.1780	2.8641	2.8801	1.0965	3.8827	4.3742	2.5021	3.8786	3.1838	3.8966	2.3262	3.1402	1.7816	1.7788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.584	C1	C2	C5	111.148
C1	C2	H8	105.796	C2	C1	O6	124.826
C2	C1	H7	114.986	C2	C3	C4	113.703
C2	C3	H9	108.982	C2	C3	H10	108.639
C2	C5	H14	110.324	C2	C5	H15	110.716
C2	C5	H16	111.182	C3	C2	C5	113.911
C3	C2	H8	107.329	C3	C4	H11	110.693
C3	C4	H12	111.679	C3	C4	H13	110.762
C4	C3	H9	108.980	C4	C3	H10	109.863
C5	C2	H8	109.689	O6	C1	H7	120.184
H9	C3	H10	106.416	H11	C4	H12	107.682
H11	C4	H13	107.904	H12	C4	H13	107.971
H14	C5	H15	107.495	H14	C5	H16	108.576
H15	C5	H16	108.437

All results from a given calculation for C₅H₁₀O (2-methylbutyraldehyde)

using model chemistry: QCISD(T)=FULL/6-31G*

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 C5H10O (2-methylbutyraldehyde)

using model chemistry: QCISD(T)=FULL/6-31G*

States and conformations

All results from a given calculation for C₅H₁₀O (2-methylbutyraldehyde)