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	hartrees
Energy at 0K	-249.993923
Energy at 298.15K	-250.003416
HF Energy	-249.086619
Nuclear repulsion energy	219.889272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3186	3027	14.37
2	A	3175	3017	18.19
3	A	3173	3015	27.12
4	A	3163	3006	25.52
5	A	3134	2978	7.31
6	A	3086	2932	12.81
7	A	3083	2929	21.93
8	A	3077	2924	2.32
9	A	3076	2923	12.78
10	A	2191	2081	0.27
11	A	1534	1457	1.99
12	A	1523	1448	11.02
13	A	1519	1443	9.24
14	A	1515	1440	6.32
15	A	1502	1428	0.26
16	A	1431	1360	2.91
17	A	1428	1357	5.65
18	A	1394	1324	0.35
19	A	1364	1296	0.98
20	A	1329	1263	1.76
21	A	1298	1233	1.39
22	A	1204	1144	1.72
23	A	1167	1109	0.17
24	A	1130	1074	3.57
25	A	1074	1020	1.22
26	A	1017	966	1.14
27	A	985	936	3.50
28	A	919	873	0.26
29	A	823	782	0.52
30	A	779	741	2.29
31	A	558	530	0.07
32	A	531	505	0.69
33	A	405	385	0.20
34	A	318	302	0.53
35	A	297	282	0.11
36	A	219	208	0.06
37	A	201	191	2.01
38	A	159	151	4.92
39	A	92	87	1.36

Atom	x (Å)	y (Å)	z (Å)
C1	-1.524	-0.279	0.122
N2	-2.611	-0.663	-0.108
C3	-0.003	1.633	-0.152
H4	-0.087	1.643	-1.243
H5	-0.779	2.282	0.260
H6	0.971	2.038	0.129
C7	2.305	-0.419	0.057
H8	2.461	-0.309	1.135
H9	2.977	-1.202	-0.303
H10	2.596	0.517	-0.428
C11	0.852	-0.787	-0.245
H12	0.685	-0.820	-1.328
H13	0.637	-1.789	0.141
C14	-0.158	0.198	0.374
H15	-0.016	0.202	1.462

	C1	N2	C3	H4	H5	H6	C7	H8	H9	H10	C11	H12	H13	C14	H15
C1		1.1751	2.4587	2.7616	2.6711	3.4056	3.8320	4.1116	4.6145	4.2322	2.4574	2.6974	2.6365	1.4685	2.0743
N2	1.1751		3.4746	3.6025	3.4876	4.4926	4.9244	5.2334	5.6173	5.3484	3.4679	3.5181	3.4468	2.6434	3.1538
C3	2.4587	3.4746		1.0941	1.0927	1.0921	3.0945	3.3907	4.1156	2.8418	2.5675	2.8057	3.4931	1.5357	2.1575
H4	2.7616	3.6025	1.0941		1.7740	1.7775	3.4149	3.9949	4.2859	3.0221	2.7898	2.5831	3.7710	2.1698	3.0665
H5	2.6711	3.4876	1.0927	1.7740		1.7717	4.1039	4.2394	5.1538	3.8704	3.5116	3.7801	4.3116	2.1770	2.5207
H6	3.4056	4.4926	1.0921	1.7775	1.7717		2.7963	2.9564	3.8354	2.2948	2.8520	3.2213	3.8416	2.1729	2.4747
C7	3.8320	4.9244	3.0945	3.4149	4.1039	2.7963		1.0951	1.0933	1.0928	1.5286	2.1686	2.1598	2.5590	2.7830
H8	4.1116	5.2334	3.3907	3.9949	4.2394	2.9564	1.0951		1.7698	1.7730	2.1725	3.0792	2.5498	2.7743	2.5495
H9	4.6145	5.6173	4.1156	4.2859	5.1538	3.8354	1.0933	1.7698		1.7648	2.1660	2.5398	2.4527	3.5001	3.7475
H10	4.2322	5.3484	2.8418	3.0221	3.8704	2.2948	1.0928	1.7730	1.7648		2.1846	2.4998	3.0781	2.8864	3.2394
C11	2.4574	3.4679	2.5675	2.7898	3.5116	2.8520	1.5286	2.1725	2.1660	2.1846		1.0964	1.0953	1.5409	2.1553
H12	2.6974	3.5181	2.8057	2.5831	3.7801	3.2213	2.1686	3.0792	2.5398	2.4998	1.0964		1.7603	2.1552	3.0532
H13	2.6365	3.4468	3.4931	3.7710	4.3116	3.8416	2.1598	2.5498	2.4527	3.0781	1.0953	1.7603		2.1531	2.4768
C14	1.4685	2.6434	1.5357	2.1698	2.1770	2.1729	2.5590	2.7743	3.5001	2.8864	1.5409	2.1552	2.1531		1.0979
H15	2.0743	3.1538	2.1575	3.0665	2.5207	2.4747	2.7830	2.5495	3.7475	3.2394	2.1553	3.0532	2.4768	1.0979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C14	C3	109.835	C1	C14	C11	109.468
C1	C14	H15	106.963	N2	C1	C14	178.581
C3	C14	C11	113.138	C3	C14	H15	108.882
H4	C3	H5	108.432	H4	C3	H6	108.789
H4	C3	C14	110.058	H5	C3	H6	108.373
H5	C3	C14	110.709	H6	C3	C14	110.420
C7	C11	H12	110.323	C7	C11	H13	109.699
C7	C11	C14	112.960	H8	C7	H9	107.941
H8	C7	H10	108.265	H8	C7	C11	110.714
H9	C7	H10	107.660	H9	C7	C11	110.298
H10	C7	C11	111.824	C11	C14	H15	108.356
H12	C11	H13	106.873	H12	C11	C14	108.441
H13	C11	C14	108.340

All results from a given calculation for C₅H₉N (Butanenitrile, 2-methyl-)

using model chemistry: MP2/6-311G**

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 C5H9N (Butanenitrile, 2-methyl-)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C₅H₉N (Butanenitrile, 2-methyl-)