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	hartrees
Energy at 0K	-210.832178
Energy at 298.15K	-210.839440
HF Energy	-210.009319
Nuclear repulsion energy	158.455808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3187	3187
2	A'	3180	3180
3	A'	3096	3096
4	A'	3091	3091
5	A'	2280	2280
6	A'	1547	1547
7	A'	1539	1539
8	A'	1465	1465
9	A'	1376	1376
10	A'	1221	1221
11	A'	1146	1146
12	A'	950	950
13	A'	776	776
14	A'	541	541
15	A'	357	357
16	A'	290	290
17	A'	218	218
18	A"	3185	3185
19	A"	3176	3176
20	A"	3089	3089
21	A"	1528	1528
22	A"	1527	1527
23	A"	1444	1444
24	A"	1360	1360
25	A"	1161	1161
26	A"	996	996
27	A"	956	956
28	A"	556	556
29	A"	233	233
30	A"	184	184

Atom	x (Å)	y (Å)	z (Å)
N1	0.409	-2.197	0.000
C2	0.026	-1.087	0.000
C3	-0.443	0.316	0.000
C4	0.026	1.035	1.274
C5	0.026	1.035	-1.274
H6	-1.537	0.276	0.000
H7	-0.358	2.056	1.278
H8	-0.330	0.524	2.168
H9	1.116	1.074	1.308
H10	-0.358	2.056	-1.278
H11	-0.330	0.524	-2.168
H12	1.116	1.074	-1.308

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
N1		1.1742	2.6536	3.4941	3.4941	3.1467	4.5061	3.5566	3.5926	4.5061	3.5566	3.5926
C2	1.1742		1.4794	2.4741	2.4741	2.0738	3.4141	2.7244	2.7508	3.4141	2.7244	2.7508
C3	2.6536	1.4794		1.5357	1.5357	1.0946	2.1601	2.1812	2.1721	2.1601	2.1812	2.1721
C4	3.4941	2.4741	1.5357		2.5473	2.1546	1.0914	1.0902	1.0914	2.7749	3.4979	2.8028
C5	3.4941	2.4741	1.5357	2.5473		2.1546	2.7749	3.4979	2.8028	1.0914	1.0902	1.0914
H6	3.1467	2.0738	1.0946	2.1546	2.1546		2.4885	2.4940	3.0643	2.4885	2.4940	3.0643
H7	4.5061	3.4141	2.1601	1.0914	2.7749	2.4885		1.7725	1.7718	2.5553	3.7714	3.1345
H8	3.5566	2.7244	2.1812	1.0902	3.4979	2.4940	1.7725		1.7707	3.7714	4.3367	3.8055
H9	3.5926	2.7508	2.1721	1.0914	2.8028	3.0643	1.7718	1.7707		3.1345	3.8055	2.6164
H10	4.5061	3.4141	2.1601	2.7749	1.0914	2.4885	2.5553	3.7714	3.1345		1.7725	1.7718
H11	3.5566	2.7244	2.1812	3.4979	1.0902	2.4940	3.7714	4.3367	3.8055	1.7725		1.7707
H12	3.5926	2.7508	2.1721	2.8028	1.0914	3.0643	3.1345	3.8055	2.6164	1.7718	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	179.466	C2	C3	C4	110.266
C2	C3	C5	110.266	C2	C3	H6	106.384
C3	C4	H7	109.457	C3	C4	H8	111.196
C3	C4	H9	110.398	C3	C5	H10	109.457
C3	C5	H11	111.196	C3	C5	H12	110.398
C4	C3	C5	112.062	C4	C3	H6	108.839
C5	C3	H6	108.839	H7	C4	H8	108.681
H7	C4	H9	108.529	H8	C4	H9	108.519
H10	C5	H11	108.681	H10	C5	H12	108.529
H11	C5	H12	108.519

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

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/6-31+G**

States and conformations

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