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	hartrees
Energy at 0K	-210.841518
Energy at 298.15K	-210.848833
HF Energy	-210.034521
Nuclear repulsion energy	158.907965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3018	18.93
2	A'	3182	3014	31.77
3	A'	3101	2937	4.95
4	A'	3087	2924	12.74
5	A'	2197	2081	0.28
6	A'	1550	1468	17.48
7	A'	1541	1460	8.48
8	A'	1459	1382	7.06
9	A'	1379	1306	4.56
10	A'	1223	1158	2.66
11	A'	1149	1088	5.36
12	A'	961	911	0.87
13	A'	790	748	0.50
14	A'	551	522	0.98
15	A'	362	343	0.16
16	A'	297	281	0.52
17	A'	223	211	1.99
18	A"	3186	3017	11.20
19	A"	3178	3010	0.16
20	A"	3086	2923	15.11
21	A"	1528	1447	4.15
22	A"	1526	1445	1.40
23	A"	1438	1362	9.01
24	A"	1356	1285	0.12
25	A"	1166	1104	2.20
26	A"	1000	947	0.37
27	A"	957	906	2.32
28	A"	570	539	0.13
29	A"	236	224	0.01
30	A"	186	176	4.06

Atom	x (Å)	y (Å)	z (Å)
N1	0.420	-2.183	0.000
C2	0.024	-1.078	0.000
C3	-0.447	0.312	0.000
C4	0.024	1.028	1.270
C5	0.024	1.028	-1.270
H6	-1.542	0.276	0.000
H7	-0.361	2.050	1.281
H8	-0.327	0.516	2.167
H9	1.115	1.069	1.302
H10	-0.361	2.050	-1.281
H11	-0.327	0.516	-2.167
H12	1.115	1.069	-1.302

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
N1		1.1741	2.6409	3.4757	3.4757	3.1455	4.4913	3.5414	3.5717	4.4913	3.5414	3.5717
C2	1.1741		1.4670	2.4591	2.4591	2.0696	3.4020	2.7133	2.7380	3.4020	2.7133	2.7380
C3	2.6409	1.4670		1.5320	1.5320	1.0959	2.1611	2.1803	2.1697	2.1611	2.1803	2.1697
C4	3.4757	2.4591	1.5320		2.5397	2.1518	1.0924	1.0913	1.0922	2.7748	3.4929	2.7941
C5	3.4757	2.4591	1.5320	2.5397		2.1518	2.7748	3.4929	2.7941	1.0924	1.0913	1.0922
H6	3.1455	2.0696	1.0959	2.1518	2.1518		2.4867	2.4962	3.0633	2.4867	2.4962	3.0633
H7	4.4913	3.4020	2.1611	1.0924	2.7748	2.4867		1.7721	1.7723	2.5618	3.7743	3.1325
H8	3.5414	2.7133	2.1803	1.0913	3.4929	2.4962	1.7721		1.7704	3.7743	4.3349	3.7979
H9	3.5717	2.7380	2.1697	1.0922	2.7941	3.0633	1.7723	1.7704		3.1325	3.7979	2.6043
H10	4.4913	3.4020	2.1611	2.7748	1.0924	2.4867	2.5618	3.7743	3.1325		1.7721	1.7723
H11	3.5414	2.7133	2.1803	3.4929	1.0913	2.4962	3.7743	4.3349	3.7979	1.7721		1.7704
H12	3.5717	2.7380	2.1697	2.7941	1.0922	3.0633	3.1325	3.7979	2.6043	1.7723	1.7704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	178.987	C2	C3	C4	110.146
C2	C3	C5	110.146	C2	C3	H6	106.822
C3	C4	H7	109.735	C3	C4	H8	111.323
C3	C4	H9	110.428	C3	C5	H10	109.735
C3	C5	H11	111.323	C3	C5	H12	110.428
C4	C3	C5	111.970	C4	C3	H6	108.801
C5	C3	H6	108.801	H7	C4	H8	108.489
H7	C4	H9	108.439	H8	C4	H9	108.352
H10	C5	H11	108.489	H10	C5	H12	108.439
H11	C5	H12	108.352

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

using model chemistry: MP2=FULL/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 CH3CH(CH3)CN (Propanenitrile, 2-methyl-)

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

States and conformations

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