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	hartrees
Energy at 0K	-211.014275
Energy at 298.15K	-211.021455
HF Energy	-210.066535
Nuclear repulsion energy	158.768979

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3135	3039
2	A'	3129	3032
3	A'	3056	2962
4	A'	3044	2950
5	A'	2166	2099
6	A'	1515	1468
7	A'	1506	1460
8	A'	1422	1378
9	A'	1350	1309
10	A'	1196	1159
11	A'	1125	1091
12	A'	936	907
13	A'	770	746
14	A'	533	517
15	A'	345	335
16	A'	278	270
17	A'	210	204
18	A"	3134	3037
19	A"	3125	3028
20	A"	3043	2949
21	A"	1495	1449
22	A"	1493	1447
23	A"	1401	1358
24	A"	1328	1287
25	A"	1138	1103
26	A"	975	945
27	A"	933	905
28	A"	552	535
29	A"	218	211
30	A"	179	174

Atom	x (Å)	y (Å)	z (Å)
N1	0.150	-2.220	0.000
C2	-0.108	-1.077	0.000
C3	-0.409	0.365	0.000
C4	0.150	1.019	1.270
C5	0.150	1.019	-1.270
H6	-1.499	0.459	0.000
H7	-0.105	2.081	1.278
H8	-0.258	0.555	2.168
H9	1.238	0.924	1.297
H10	-0.105	2.081	-1.278
H11	-0.258	0.555	-2.168
H12	1.238	0.924	-1.297

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
N1		1.1727	2.6455	3.4800	3.4800	3.1469	4.4943	3.5454	3.5712	4.4943	3.5454	3.5712
C2	1.1727		1.4729	2.4646	2.4646	2.0722	3.4062	2.7176	2.7382	3.4062	2.7176	2.7382
C3	2.6455	1.4729		1.5346	1.5346	1.0941	2.1608	2.1818	2.1697	2.1608	2.1818	2.1697
C4	3.4800	2.4646	1.5346		2.5407	2.1562	1.0916	1.0905	1.0918	2.7721	3.4938	2.7897
C5	3.4800	2.4646	1.5346	2.5407		2.1562	2.7721	3.4938	2.7897	1.0916	1.0905	1.0918
H6	3.1469	2.0722	1.0941	2.1562	2.1562		2.4913	2.5002	3.0643	2.4913	2.5002	3.0643
H7	4.4943	3.4062	2.1608	1.0916	2.7721	2.4913		1.7735	1.7721	2.5556	3.7720	3.1257
H8	3.5454	2.7176	2.1818	1.0905	3.4938	2.5002	1.7735		1.7700	3.7720	4.3365	3.7924
H9	3.5712	2.7382	2.1697	1.0918	2.7897	3.0643	1.7721	1.7700		3.1257	3.7924	2.5941
H10	4.4943	3.4062	2.1608	2.7721	1.0916	2.4913	2.5556	3.7720	3.1257		1.7735	1.7721
H11	3.5454	2.7176	2.1818	3.4938	1.0905	2.5002	3.7720	4.3365	3.7924	1.7735		1.7700
H12	3.5712	2.7382	2.1697	2.7897	1.0918	3.0643	3.1257	3.7924	2.5941	1.7721	1.7700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	179.036	C2	C3	C4	110.052
C2	C3	C5	110.052	C2	C3	H6	106.724
C3	C4	H7	109.568	C3	C4	H8	111.303
C3	C4	H9	110.260	C3	C5	H10	109.568
C3	C5	H11	111.303	C3	C5	H12	110.260
C4	C3	C5	111.741	C4	C3	H6	109.066
C5	C3	H6	109.066	H7	C4	H8	108.734
H7	C4	H9	108.509	H8	C4	H9	108.404
H10	C5	H11	108.734	H10	C5	H12	108.509
H11	C5	H12	108.404

All results from a given calculation for CH₃CH(CH₃)CN (Propanenitrile, 2-methyl-)

using model chemistry: MP4/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 CH3CH(CH3)CN (Propanenitrile, 2-methyl-)

using model chemistry: MP4/cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH(CH₃)CN (Propanenitrile, 2-methyl-)