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	hartrees
Energy at 0K	-210.800703
Energy at 298.15K	-210.807922
HF Energy	-210.007213
Nuclear repulsion energy	157.348253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3156	3051
2	A'	3149	3045
3	A'	3062	2961
4	A'	3056	2955
5	A'	2167	2096
6	A'	1500	1450
7	A'	1490	1441
8	A'	1414	1368
9	A'	1346	1301
10	A'	1193	1154
11	A'	1120	1083
12	A'	941	910
13	A'	772	747
14	A'	530	513
15	A'	350	338
16	A'	290	281
17	A'	216	209
18	A"	3154	3050
19	A"	3146	3042
20	A"	3054	2953
21	A"	1480	1431
22	A"	1478	1429
23	A"	1395	1349
24	A"	1329	1285
25	A"	1147	1109
26	A"	977	944
27	A"	930	899
28	A"	545	527
29	A"	234	226
30	A"	182	176

Atom	x (Å)	y (Å)	z (Å)
N1	0.420	-2.209	0.000
C2	0.025	-1.091	0.000
C3	-0.448	0.318	0.000
C4	0.025	1.039	1.279
C5	0.025	1.039	-1.279
H6	-1.556	0.279	0.000
H7	-0.366	2.073	1.288
H8	-0.332	0.519	2.186
H9	1.129	1.081	1.312
H10	-0.366	2.073	-1.288
H11	-0.332	0.519	-2.186
H12	1.129	1.081	-1.312

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
N1		1.1860	2.6725	3.5131	3.5131	3.1775	4.5404	3.5759	3.6119	4.5404	3.5759	3.6119
C2	1.1860		1.4866	2.4843	2.4843	2.0919	3.4385	2.7381	2.7670	3.4385	2.7381	2.7670
C3	2.6725	1.4866		1.5422	1.5422	1.1085	2.1783	2.1979	2.1887	2.1783	2.1979	2.1887
C4	3.5131	2.4843	1.5422		2.5573	2.1707	1.1056	1.1046	1.1058	2.7944	3.5212	2.8163
C5	3.5131	2.4843	1.5422	2.5573		2.1707	2.7944	3.5212	2.8163	1.1056	1.1046	1.1058
H6	3.1775	2.0919	1.1085	2.1707	2.1707		2.5089	2.5166	3.0943	2.5089	2.5166	3.0943
H7	4.5404	3.4385	2.1783	1.1056	2.7944	2.5089		1.7951	1.7948	2.5755	3.8053	3.1588
H8	3.5759	2.7381	2.1979	1.1046	3.5212	2.5166	1.7951		1.7929	3.8053	4.3712	3.8316
H9	3.6119	2.7670	2.1887	1.1058	2.8163	3.0943	1.7948	1.7929		3.1588	3.8316	2.6233
H10	4.5404	3.4385	2.1783	2.7944	1.1056	2.5089	2.5755	3.8053	3.1588		1.7951	1.7948
H11	3.5759	2.7381	2.1979	3.5212	1.1046	2.5166	3.8053	4.3712	3.8316	1.7951		1.7929
H12	3.6119	2.7670	2.1887	2.8163	1.1058	3.0943	3.1588	3.8316	2.6233	1.7948	1.7929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	179.084	C2	C3	C4	110.209
C2	C3	C5	110.209	C2	C3	H6	106.523
C3	C4	H7	109.611	C3	C4	H8	111.210
C3	C4	H9	110.410	C3	C5	H10	109.611
C3	C5	H11	111.210	C3	C5	H12	110.410
C4	C3	C5	112.019	C4	C3	H6	108.854
C5	C3	H6	108.854	H7	C4	H8	108.619
H7	C4	H9	108.512	H8	C4	H9	108.414
H10	C5	H11	108.619	H10	C5	H12	108.512
H11	C5	H12	108.414

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

using model chemistry: MP4/cc-pVDZ

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-pVDZ

States and conformations

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