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	hartrees
Energy at 0K	-173.913874
Energy at 298.15K	-173.924491
HF Energy	-173.284275
Nuclear repulsion energy	135.528547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3470	3295	2.36
2	A'	3157	2999	51.86
3	A'	3138	2980	46.55
4	A'	3067	2913	4.02
5	A'	2972	2823	72.29
6	A'	1727	1640	36.54
7	A'	1561	1483	6.26
8	A'	1548	1471	2.96
9	A'	1472	1398	15.55
10	A'	1429	1357	16.05
11	A'	1250	1187	4.16
12	A'	1204	1143	23.31
13	A'	1037	985	8.12
14	A'	928	882	124.25
15	A'	849	806	1.10
16	A'	488	463	11.88
17	A'	377	358	0.13
18	A'	281	267	0.29
19	A"	3557	3378	1.26
20	A"	3152	2994	0.86
21	A"	3135	2977	19.87
22	A"	3063	2910	36.58
23	A"	1541	1464	0.16
24	A"	1539	1462	0.53
25	A"	1478	1404	16.26
26	A"	1437	1365	0.19
27	A"	1305	1240	0.03
28	A"	1078	1024	0.98
29	A"	996	946	0.43
30	A"	959	911	0.22
31	A"	415	394	6.67
32	A"	312	297	44.06
33	A"	233	221	6.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.294	0.221	0.000
N2	-0.917	1.048	0.000
H3	1.222	0.825	0.000
C4	0.294	-0.639	1.258
C5	0.294	-0.639	-1.258
H6	-0.924	1.657	-0.818
H7	-0.924	1.657	0.818
H8	-0.603	-1.269	1.277
H9	-0.603	-1.269	-1.277
H10	1.182	-1.283	1.292
H11	1.182	-1.283	-1.292
H12	0.295	-0.015	2.162
H13	0.295	-0.015	-2.162

	C1	N2	H3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4671	1.1069	1.5247	1.5247	2.0532	2.0532	2.1581	2.1581	2.1725	2.1725	2.1750	2.1750
N2	1.4671		2.1508	2.4291	2.4291	1.0198	1.0198	2.6644	2.6644	3.3929	3.3929	2.6973	2.6973
H3	1.1069	2.1508		2.1423	2.1423	2.4425	2.4425	3.0574	3.0574	2.4731	2.4731	2.4982	2.4982
C4	1.5247	2.4291	2.1423		2.5170	3.3273	2.6368	1.0964	2.7628	1.0970	2.7760	1.0982	3.4771
C5	1.5247	2.4291	2.1423	2.5170		2.6368	3.3273	2.7628	1.0964	2.7760	1.0970	3.4771	1.0982
H6	2.0532	1.0198	2.4425	3.3273	2.6368		1.6362	3.6131	2.9789	4.1872	3.6476	3.6283	2.4676
H7	2.0532	1.0198	2.4425	2.6368	3.3273	1.6362		2.9789	3.6131	3.6476	4.1872	2.4676	3.6283
H8	2.1581	2.6644	3.0574	1.0964	2.7628	3.6131	2.9789		2.5550	1.7854	3.1287	1.7777	3.7694
H9	2.1581	2.6644	3.0574	2.7628	1.0964	2.9789	3.6131	2.5550		3.1287	1.7854	3.7694	1.7777
H10	2.1725	3.3929	2.4731	1.0970	2.7760	4.1872	3.6476	1.7854	3.1287		2.5837	1.7754	3.7848
H11	2.1725	3.3929	2.4731	2.7760	1.0970	3.6476	4.1872	3.1287	1.7854	2.5837		3.7848	1.7754
H12	2.1750	2.6973	2.4982	1.0982	3.4771	3.6283	2.4676	1.7777	3.7694	1.7754	3.7848		4.3243
H13	2.1750	2.6973	2.4982	3.4771	1.0982	2.4676	3.6283	3.7694	1.7777	3.7848	1.7754	4.3243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.998	C1	N2	H7	109.998
C1	C4	H8	109.771	C1	C4	H10	110.876
C1	C4	H12	110.997	C1	C5	H9	109.771
C1	C5	H11	110.876	C1	C5	H13	110.997
N2	C1	H3	112.606	N2	C1	C4	108.558
N2	C1	C5	108.558	H3	C1	C4	107.944
H3	C1	C5	107.944	C4	C1	C5	111.262
H6	N2	H7	106.689	H8	C4	H10	108.981
H8	C4	H12	108.193	H9	C5	H11	108.981
H9	C5	H13	108.193	H10	C4	H12	107.947
H11	C5	H13	107.947

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

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