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	hartrees
Energy at 0K	-210.889938
Energy at 298.15K	-210.897162
HF Energy	-210.061041
Nuclear repulsion energy	158.674432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3147	3030
2	A'	3140	3024
3	A'	3067	2953
4	A'	3055	2941
5	A'	2178	2098
6	A'	1522	1466
7	A'	1517	1461
8	A'	1446	1393
9	A'	1360	1309
10	A'	1210	1165
11	A'	1131	1089
12	A'	941	906
13	A'	773	744
14	A'	536	516
15	A'	353	340
16	A'	290	279
17	A'	213	205
18	A"	3145	3028
19	A"	3136	3020
20	A"	3053	2940
21	A"	1505	1449
22	A"	1500	1444
23	A"	1423	1370
24	A"	1345	1295
25	A"	1146	1103
26	A"	984	948
27	A"	950	915
28	A"	553	533
29	A"	223	215
30	A"	178	171

Atom	x (Å)	y (Å)	z (Å)
N1	0.151	-2.220	0.000
C2	-0.110	-1.077	0.000
C3	-0.408	0.365	0.000
C4	0.151	1.019	1.272
C5	0.151	1.019	-1.272
H6	-1.500	0.462	0.000
H7	-0.099	2.083	1.277
H8	-0.266	0.557	2.170
H9	1.239	0.917	1.305
H10	-0.099	2.083	-1.277
H11	-0.266	0.557	-2.170
H12	1.239	0.917	-1.305

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
N1		1.1727	2.6449	3.4800	3.4800	3.1492	4.4958	3.5489	3.5671	4.4958	3.5489	3.5671
C2	1.1727		1.4724	2.4657	2.4657	2.0731	3.4085	2.7208	2.7379	3.4085	2.7208	2.7379
C3	2.6449	1.4724		1.5359	1.5359	1.0958	2.1630	2.1830	2.1723	2.1630	2.1830	2.1723
C4	3.4800	2.4657	1.5359		2.5446	2.1572	1.0933	1.0921	1.0933	2.7740	3.4979	2.7990
C5	3.4800	2.4657	1.5359	2.5446		2.1572	2.7740	3.4979	2.7990	1.0933	1.0921	1.0933
H6	3.1492	2.0731	1.0958	2.1572	2.1572		2.4942	2.4980	3.0674	2.4942	2.4980	3.0674
H7	4.4958	3.4085	2.1630	1.0933	2.7740	2.4942		1.7758	1.7756	2.5543	3.7734	3.1333
H8	3.5489	2.7208	2.1830	1.0921	3.4979	2.4980	1.7758		1.7726	3.7734	4.3397	3.8033
H9	3.5671	2.7379	2.1723	1.0933	2.7990	3.0674	1.7756	1.7726		3.1333	3.8033	2.6092
H10	4.4958	3.4085	2.1630	2.7740	1.0933	2.4942	2.5543	3.7734	3.1333		1.7758	1.7756
H11	3.5489	2.7208	2.1830	3.4979	1.0921	2.4980	3.7734	4.3397	3.8033	1.7758		1.7726
H12	3.5671	2.7379	2.1723	2.7990	1.0933	3.0674	3.1333	3.8033	2.6092	1.7756	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	178.793	C2	C3	C4	110.080
C2	C3	C5	110.080	C2	C3	H6	106.735
C3	C4	H7	109.564	C3	C4	H8	111.216
C3	C4	H9	110.295	C3	C5	H10	109.564
C3	C5	H11	111.216	C3	C5	H12	110.295
C4	C3	C5	111.865	C4	C3	H6	108.966
C5	C3	H6	108.966	H7	C4	H8	108.701
H7	C4	H9	108.595	H8	C4	H9	108.411
H10	C5	H11	108.701	H10	C5	H12	108.595
H11	C5	H12	108.411

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

using model chemistry: MP4/TZVP

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/TZVP

States and conformations

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