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	hartrees
Energy at 0K	-173.897623
Energy at 298.15K	-173.908227
HF Energy	-173.284143
Nuclear repulsion energy	135.385128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3464	3299	2.61
2	A'	3152	3002	53.64
3	A'	3132	2983	48.09
4	A'	3062	2916	4.17
5	A'	2967	2825	73.37
6	A'	1725	1643	35.98
7	A'	1559	1485	6.08
8	A'	1547	1473	2.85
9	A'	1470	1400	15.04
10	A'	1426	1358	16.23
11	A'	1247	1188	4.19
12	A'	1201	1144	23.07
13	A'	1035	986	8.79
14	A'	928	884	122.82
15	A'	846	806	1.22
16	A'	487	463	11.76
17	A'	376	358	0.13
18	A'	280	266	0.29
19	A"	3551	3382	1.46
20	A"	3146	2996	0.89
21	A"	3129	2980	20.27
22	A"	3058	2912	37.74
23	A"	1539	1466	0.14
24	A"	1538	1464	0.52
25	A"	1476	1405	16.01
26	A"	1435	1366	0.15
27	A"	1303	1241	0.04
28	A"	1076	1025	1.03
29	A"	994	946	0.40
30	A"	956	911	0.20
31	A"	414	394	6.70
32	A"	311	297	44.03
33	A"	232	221	6.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.294	0.221	0.000
N2	-0.918	1.051	0.000
H3	1.223	0.824	0.000
C4	0.294	-0.640	1.261
C5	0.294	-0.640	-1.261
H6	-0.923	1.660	-0.818
H7	-0.923	1.660	0.818
H8	-0.604	-1.269	1.280
H9	-0.604	-1.269	-1.280
H10	1.182	-1.285	1.294
H11	1.182	-1.285	-1.294
H12	0.296	-0.016	2.165
H13	0.296	-0.016	-2.165

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4689	1.1075	1.5267	1.5267	2.0550	2.0550	2.1605	2.1605	2.1749	2.1749	2.1774	2.1774
N2	1.4689		2.1526	2.4326	2.4326	1.0201	1.0201	2.6684	2.6684	3.3969	3.3969	2.7008	2.7008
H3	1.1075	2.1526		2.1441	2.1441	2.4443	2.4443	3.0597	3.0597	2.4750	2.4750	2.5002	2.5002
C4	1.5267	2.4326	2.1441		2.5210	3.3310	2.6400	1.0970	2.7674	1.0976	2.7800	1.0989	3.4816
C5	1.5267	2.4326	2.1441	2.5210		2.6400	3.3310	2.7674	1.0970	2.7800	1.0976	3.4816	1.0989
H6	2.0550	1.0201	2.4443	3.3310	2.6400		1.6365	3.6175	2.9826	4.1912	3.6512	3.6318	2.4710
H7	2.0550	1.0201	2.4443	2.6400	3.3310	1.6365		2.9826	3.6175	3.6512	4.1912	2.4710	3.6318
H8	2.1605	2.6684	3.0597	1.0970	2.7674	3.6175	2.9826		2.5605	1.7865	3.1333	1.7786	3.7747
H9	2.1605	2.6684	3.0597	2.7674	1.0970	2.9826	3.6175	2.5605		3.1333	1.7865	3.7747	1.7786
H10	2.1749	3.3969	2.4750	1.0976	2.7800	4.1912	3.6512	1.7865	3.1333		2.5878	1.7763	3.7892
H11	2.1749	3.3969	2.4750	2.7800	1.0976	3.6512	4.1912	3.1333	1.7865	2.5878		3.7892	1.7763
H12	2.1774	2.7008	2.5002	1.0989	3.4816	3.6318	2.4710	1.7786	3.7747	1.7763	3.7892		4.3291
H13	2.1774	2.7008	2.5002	3.4816	1.0989	2.4710	3.6318	3.7747	1.7786	3.7892	1.7763	4.3291

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.994	C1	N2	H7	109.994
C1	C4	H8	109.777	C1	C4	H10	110.881
C1	C4	H12	111.006	C1	C5	H9	109.777
C1	C5	H11	110.881	C1	C5	H13	111.006
N2	C1	H3	112.589	N2	C1	C4	108.583
N2	C1	C5	108.583	H3	C1	C4	107.906
H3	C1	C5	107.906	C4	C1	C5	111.306
H6	N2	H7	106.667	H8	C4	H10	108.980
H8	C4	H12	108.186	H9	C5	H11	108.980
H9	C5	H13	108.186	H10	C4	H12	107.935
H11	C5	H13	107.935

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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