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	hartrees
Energy at 0K	-174.154606
Energy at 298.15K	-174.165132
HF Energy	-173.355010
Nuclear repulsion energy	135.915285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3514	3358	0.61
2	A'	3132	2993	54.02
3	A'	3117	2979	45.80
4	A'	3048	2913	5.35
5	A'	2980	2847	60.65
6	A'	1675	1600	29.69
7	A'	1528	1460	5.63
8	A'	1515	1448	4.56
9	A'	1434	1370	15.40
10	A'	1399	1337	14.47
11	A'	1225	1170	4.77
12	A'	1180	1127	16.57
13	A'	1018	973	4.49
14	A'	891	851	113.33
15	A'	836	799	2.60
16	A'	476	454	9.50
17	A'	363	347	0.11
18	A'	270	258	0.25
19	A"	3595	3435	0.01
20	A"	3127	2988	0.08
21	A"	3114	2976	20.85
22	A"	3044	2909	37.58
23	A"	1510	1443	0.10
24	A"	1505	1438	0.30
25	A"	1443	1379	14.34
26	A"	1404	1341	0.39
27	A"	1286	1229	0.01
28	A"	1061	1014	1.16
29	A"	976	932	0.28
30	A"	940	898	0.09
31	A"	406	388	8.03
32	A"	290	277	29.84
33	A"	215	205	5.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.294	0.222	0.000
N2	-0.915	1.048	0.000
H3	1.214	0.824	0.000
C4	0.294	-0.639	1.256
C5	0.294	-0.639	-1.256
H6	-0.924	1.652	-0.811
H7	-0.924	1.652	0.811
H8	-0.597	-1.268	1.275
H9	-0.597	-1.268	-1.275
H10	1.178	-1.277	1.289
H11	1.178	-1.277	-1.289
H12	0.292	-0.018	2.154
H13	0.292	-0.018	-2.154

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4645	1.0989	1.5223	1.5223	2.0459	2.0459	2.1542	2.1542	2.1657	2.1657	2.1675	2.1675
N2	1.4645		2.1405	2.4257	2.4257	1.0114	1.0114	2.6632	2.6632	3.3836	3.3836	2.6898	2.6898
H3	1.0989	2.1405		2.1356	2.1356	2.4315	2.4315	3.0462	3.0462	2.4649	2.4649	2.4896	2.4896
C4	1.5223	2.4257	2.1356		2.5111	3.3169	2.6320	1.0909	2.7559	1.0908	2.7684	1.0920	3.4657
C5	1.5223	2.4257	2.1356	2.5111		2.6320	3.3169	2.7559	1.0909	2.7684	1.0908	3.4657	1.0920
H6	2.0459	1.0114	2.4315	3.3169	2.6320		1.6226	3.6039	2.9748	4.1722	3.6364	3.6141	2.4640
H7	2.0459	1.0114	2.4315	2.6320	3.3169	1.6226		2.9748	3.6039	3.6364	4.1722	2.4640	3.6141
H8	2.1542	2.6632	3.0462	1.0909	2.7559	3.6039	2.9748		2.5506	1.7749	3.1187	1.7678	3.7568
H9	2.1542	2.6632	3.0462	2.7559	1.0909	2.9748	3.6039	2.5506		3.1187	1.7749	3.7568	1.7678
H10	2.1657	3.3836	2.4649	1.0908	2.7684	4.1722	3.6364	1.7749	3.1187		2.5783	1.7655	3.7716
H11	2.1657	3.3836	2.4649	2.7684	1.0908	3.6364	4.1722	3.1187	1.7749	2.5783		3.7716	1.7655
H12	2.1675	2.6898	2.4896	1.0920	3.4657	3.6141	2.4640	1.7678	3.7568	1.7655	3.7716		4.3083
H13	2.1675	2.6898	2.4896	3.4657	1.0920	2.4640	3.6141	3.7568	1.7678	3.7716	1.7655	4.3083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.103	C1	N2	H7	110.103
C1	C4	H8	109.950	C1	C4	H10	110.866
C1	C4	H12	110.938	C1	C5	H9	109.950
C1	C5	H11	110.866	C1	C5	H13	110.938
N2	C1	H3	112.464	N2	C1	C4	108.597
N2	C1	C5	108.597	H3	C1	C4	108.038
H3	C1	C5	108.038	C4	C1	C5	111.133
H6	N2	H7	106.671	H8	C4	H10	108.887
H8	C4	H12	108.161	H9	C5	H11	108.887
H9	C5	H13	108.161	H10	C4	H12	107.960
H11	C5	H13	107.960

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

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

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