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	hartrees
Energy at 0K	-174.062188
Energy at 298.15K	-174.072652
HF Energy	-173.346853
Nuclear repulsion energy	131.515595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3531	3364	0.48
2	A'	3173	3023	29.21
3	A'	3086	2940	64.65
4	A'	3078	2933	14.78
5	A'	3071	2926	13.40
6	A'	1661	1582	26.75
7	A'	1530	1457	6.27
8	A'	1514	1442	0.41
9	A'	1505	1433	0.04
10	A'	1437	1369	3.88
11	A'	1430	1362	5.84
12	A'	1350	1286	6.72
13	A'	1167	1112	4.50
14	A'	1121	1068	13.97
15	A'	1061	1011	0.45
16	A'	938	894	102.53
17	A'	864	823	95.32
18	A'	453	432	3.40
19	A'	267	254	4.89
20	A"	3630	3458	0.60
21	A"	3166	3016	55.28
22	A"	3143	2994	30.01
23	A"	3115	2968	1.73
24	A"	1524	1452	7.29
25	A"	1407	1341	0.30
26	A"	1341	1277	0.53
27	A"	1264	1204	0.00
28	A"	1050	1001	0.14
29	A"	880	838	1.30
30	A"	765	729	0.80
31	A"	289	276	47.09
32	A"	232	221	5.07
33	A"	129	123	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	1.428	1.280	0.000
C2	0.000	0.750	0.000
C3	-0.054	-0.774	0.000
N4	-1.388	-1.371	0.000
H5	1.452	2.369	0.000
H6	1.969	0.933	0.881
H7	1.969	0.933	-0.881
H8	-0.535	1.121	0.878
H9	-0.535	1.121	-0.878
H10	0.480	-1.151	-0.875
H11	0.480	-1.151	0.875
H12	-1.905	-1.055	-0.812
H13	-1.905	-1.055	0.812

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5230	2.5325	3.8666	1.0893	1.0906	1.0906	2.1563	2.1563	2.7519	2.7519	4.1495	4.1495
C2	1.5230		1.5249	2.5341	2.1744	2.1650	2.1650	1.0932	1.0932	2.1470	2.1470	2.7468	2.7468
C3	2.5325	1.5249		1.4610	3.4848	2.7898	2.7898	2.1435	2.1435	1.0921	1.0921	2.0411	2.0411
N4	3.8666	2.5341	1.4610		4.6950	4.1653	4.1653	2.7760	2.7760	2.0739	2.0739	1.0137	1.0137
H5	1.0893	2.1744	3.4848	4.6950		1.7622	1.7622	2.5049	2.5049	3.7549	3.7549	4.8627	4.8627
H6	1.0906	2.1650	2.7898	4.1653	1.7622		1.7621	2.5114	3.0661	3.1056	2.5615	4.6720	4.3550
H7	1.0906	2.1650	2.7898	4.1653	1.7622	1.7621		3.0661	2.5114	2.5615	3.1056	4.3550	4.6720
H8	2.1563	1.0932	2.1435	2.7760	2.5049	2.5114	3.0661		1.7557	3.0440	2.4887	3.0767	2.5719
H9	2.1563	1.0932	2.1435	2.7760	2.5049	3.0661	2.5114	1.7557		2.4887	3.0440	2.5719	3.0767
H10	2.7519	2.1470	1.0921	2.0739	3.7549	3.1056	2.5615	3.0440	2.4887		1.7499	2.3881	2.9232
H11	2.7519	2.1470	1.0921	2.0739	3.7549	2.5615	3.1056	2.4887	3.0440	1.7499		2.9232	2.3881
H12	4.1495	2.7468	2.0411	1.0137	4.8627	4.6720	4.3550	3.0767	2.5719	2.3881	2.9232		1.6241
H13	4.1495	2.7468	2.0411	1.0137	4.8627	4.3550	4.6720	2.5719	3.0767	2.9232	2.3881	1.6241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.383	C1	C2	H8	109.930
C1	C2	H9	109.930	C2	C1	H5	111.605
C2	C1	H6	110.774	C2	C1	H7	110.774
C2	C3	N4	116.120	C2	C3	H10	109.133
C2	C3	H11	109.133	C3	C2	H8	108.795
C3	C2	H9	108.795	C3	N4	H12	109.814
C3	N4	H13	109.814	N4	C3	H10	107.771
N4	C3	H11	107.771	H5	C1	H6	107.881
H5	C1	H7	107.881	H6	C1	H7	107.774
H8	C2	H9	106.842	H10	C3	H11	106.490
H12	N4	H13	106.466

All results from a given calculation for NH₂CH₂CH₂CH₃ (1-Propanamine)

using model chemistry: MP2=FULL/TZVP

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 NH2CH2CH2CH3 (1-Propanamine)

using model chemistry: MP2=FULL/TZVP

States and conformations

All results from a given calculation for NH₂CH₂CH₂CH₃ (1-Propanamine)