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	hartrees
Energy at 0K	-210.737811
Energy at 298.15K	-210.745095
HF Energy	-210.007636
Nuclear repulsion energy	158.669355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3037	17.95
2	A'	3222	3031	32.90
3	A'	3130	2944	6.46
4	A'	3122	2937	14.30
5	A'	2192	2061	0.00
6	A'	1554	1462	12.47
7	A'	1545	1454	7.67
8	A'	1466	1379	4.11
9	A'	1380	1298	6.33
10	A'	1228	1155	1.56
11	A'	1151	1083	3.24
12	A'	963	906	0.44
13	A'	788	741	0.56
14	A'	544	512	0.84
15	A'	360	339	0.16
16	A'	294	277	0.49
17	A'	217	204	2.07
18	A"	3228	3036	11.98
19	A"	3219	3028	0.07
20	A"	3122	2936	17.72
21	A"	1533	1442	3.74
22	A"	1532	1441	0.46
23	A"	1444	1359	4.35
24	A"	1361	1280	0.39
25	A"	1170	1101	2.30
26	A"	1004	944	0.15
27	A"	962	905	1.28
28	A"	557	524	0.43
29	A"	238	224	0.03
30	A"	180	169	4.11

Atom	x (Å)	y (Å)	z (Å)
N1	0.414	-2.196	0.000
C2	0.025	-1.079	0.000
C3	-0.444	0.315	0.000
C4	0.025	1.032	1.270
C5	0.025	1.032	-1.270
H6	-1.537	0.276	0.000
H7	-0.359	2.052	1.274
H8	-0.329	0.523	2.164
H9	1.114	1.072	1.303
H10	-0.359	2.052	-1.274
H11	-0.329	0.523	-2.164
H12	1.114	1.072	-1.303

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
N1		1.1826	2.6530	3.4906	3.4906	3.1494	4.5021	3.5536	3.5867	4.5021	3.5536	3.5867
C2	1.1826		1.4704	2.4638	2.4638	2.0679	3.4026	2.7159	2.7404	3.4026	2.7159	2.7404
C3	2.6530	1.4704		1.5320	1.5320	1.0937	2.1565	2.1774	2.1670	2.1565	2.1774	2.1670
C4	3.4906	2.4638	1.5320		2.5394	2.1500	1.0900	1.0888	1.0900	2.7674	3.4897	2.7935
C5	3.4906	2.4638	1.5320	2.5394		2.1500	2.7674	3.4897	2.7935	1.0900	1.0888	1.0900
H6	3.1494	2.0679	1.0937	2.1500	2.1500		2.4829	2.4906	3.0585	2.4829	2.4906	3.0585
H7	4.5021	3.4026	2.1565	1.0900	2.7674	2.4829		1.7702	1.7694	2.5480	3.7634	3.1255
H8	3.5536	2.7159	2.1774	1.0888	3.4897	2.4906	1.7702		1.7682	3.7634	4.3287	3.7952
H9	3.5867	2.7404	2.1670	1.0900	2.7935	3.0585	1.7694	1.7682		3.1255	3.7952	2.6052
H10	4.5021	3.4026	2.1565	2.7674	1.0900	2.4829	2.5480	3.7634	3.1255		1.7702	1.7694
H11	3.5536	2.7159	2.1774	3.4897	1.0888	2.4906	3.7634	4.3287	3.7952	1.7702		1.7682
H12	3.5867	2.7404	2.1670	2.7935	1.0900	3.0585	3.1255	3.7952	2.6052	1.7694	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	179.351	C2	C3	C4	110.280
C2	C3	C5	110.280	C2	C3	H6	106.577
C3	C4	H7	109.510	C3	C4	H8	111.238
C3	C4	H9	110.342	C3	C5	H10	109.510
C3	C5	H11	111.238	C3	C5	H12	110.342
C4	C3	C5	111.956	C4	C3	H6	108.789
C5	C3	H6	108.789	H7	C4	H8	108.672
H7	C4	H9	108.517	H8	C4	H9	108.500
H10	C5	H11	108.672	H10	C5	H12	108.517
H11	C5	H12	108.500

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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