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	hartrees
Energy at 0K	-173.927684
Energy at 298.15K	-173.938259
HF Energy	-173.301782
Nuclear repulsion energy	135.382074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3497	3324	1.54
2	A'	3195	3036	40.80
3	A'	3178	3020	36.24
4	A'	3082	2929	5.47
5	A'	2995	2847	76.19
6	A'	1651	1569	25.52
7	A'	1510	1435	4.91
8	A'	1494	1420	4.82
9	A'	1416	1346	19.66
10	A'	1387	1319	11.99
11	A'	1220	1160	3.84
12	A'	1174	1116	19.19
13	A'	1025	975	6.16
14	A'	914	868	101.09
15	A'	845	804	3.04
16	A'	476	452	9.41
17	A'	365	347	0.08
18	A'	283	269	0.24
19	A"	3592	3414	0.10
20	A"	3191	3032	0.13
21	A"	3176	3018	18.88
22	A"	3080	2927	35.19
23	A"	1491	1417	0.00
24	A"	1484	1411	0.15
25	A"	1432	1361	14.73
26	A"	1380	1311	0.17
27	A"	1281	1217	0.37
28	A"	1071	1018	1.20
29	A"	971	922	0.54
30	A"	931	885	0.12
31	A"	407	386	8.73
32	A"	308	292	32.08
33	A"	226	215	5.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.370	0.000
N2	-1.389	-0.108	0.000
H3	0.077	1.480	0.000
C4	0.687	-0.151	1.259
C5	0.687	-0.151	-1.259
H6	-1.870	0.293	-0.809
H7	-1.870	0.293	0.809
H8	0.637	-1.251	1.282
H9	0.637	-1.251	-1.282
H10	1.743	0.161	1.293
H11	1.743	0.161	-1.293
H12	0.192	0.233	2.167
H13	0.192	0.233	-2.167

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4692	1.1128	1.5262	1.5262	2.0393	2.0393	2.1627	2.1627	2.1805	2.1805	2.1802	2.1802
N2	1.4692		2.1616	2.4287	2.4287	1.0237	1.0237	2.6560	2.6560	3.3995	3.3995	2.7045	2.7045
H3	1.1128	2.1616		2.1488	2.1488	2.4197	2.4197	3.0687	3.0687	2.4877	2.4877	2.5033	2.5033
C4	1.5262	2.4287	2.1488		2.5188	3.3192	2.6343	1.1020	2.7699	1.1017	2.7797	1.1031	3.4836
C5	1.5262	2.4287	2.1488	2.5188		2.6343	3.3192	2.7699	1.1020	2.7797	1.1017	3.4836	1.1031
H6	2.0393	1.0237	2.4197	3.3192	2.6343		1.6187	3.6118	2.9824	4.1827	3.6482	3.6219	2.4700
H7	2.0393	1.0237	2.4197	2.6343	3.3192	1.6187		2.9824	3.6118	3.6482	4.1827	2.4700	3.6219
H8	2.1627	2.6560	3.0687	1.1020	2.7699	3.6118	2.9824		2.5639	1.7940	3.1381	1.7846	3.7814
H9	2.1627	2.6560	3.0687	2.7699	1.1020	2.9824	3.6118	2.5639		3.1381	1.7940	3.7814	1.7846
H10	2.1805	3.3995	2.4877	1.1017	2.7797	4.1827	3.6482	1.7940	3.1381		2.5857	1.7824	3.7929
H11	2.1805	3.3995	2.4877	2.7797	1.1017	3.6482	4.1827	3.1381	1.7940	2.5857		3.7929	1.7824
H12	2.1802	2.7045	2.5033	1.1031	3.4836	3.6219	2.4700	1.7846	3.7814	1.7824	3.7929		4.3349
H13	2.1802	2.7045	2.5033	3.4836	1.1031	2.4700	3.6219	3.7814	1.7846	3.7929	1.7824	4.3349

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.458	C1	N2	H7	108.458
C1	C4	H8	109.697	C1	C4	H10	111.115
C1	C4	H12	111.019	C1	C5	H9	109.697
C1	C5	H11	111.115	C1	C5	H13	111.019
N2	C1	H3	112.967	N2	C1	C4	108.337
N2	C1	C5	108.337	H3	C1	C4	108.008
H3	C1	C5	108.008	C4	C1	C5	111.220
H6	N2	H7	104.489	H8	C4	H10	108.990
H8	C4	H12	108.056	H9	C5	H11	108.990
H9	C5	H13	108.056	H10	C4	H12	107.880
H11	C5	H13	107.880

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)

using model chemistry: MP2=FULL/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(NH2)CH3 (2-Propanamine)

using model chemistry: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃CH(NH₂)CH₃ (2-Propanamine)