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	hartrees
Energy at 0K	-174.104443
Energy at 298.15K	-174.114939
HF Energy	-173.333079
Nuclear repulsion energy	131.125396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3558	3558	0.91
2	A'	3163	3163	34.08
3	A'	3084	3084	67.86
4	A'	3079	3079	10.97
5	A'	3069	3069	19.81
6	A'	1682	1682	22.88
7	A'	1536	1536	4.87
8	A'	1523	1523	0.97
9	A'	1512	1512	0.05
10	A'	1447	1447	0.94
11	A'	1439	1439	8.77
12	A'	1352	1352	8.98
13	A'	1175	1175	6.17
14	A'	1133	1133	15.09
15	A'	1071	1071	0.53
16	A'	962	962	134.14
17	A'	882	882	49.05
18	A'	453	453	2.99
19	A'	267	267	4.19
20	A"	3635	3635	0.10
21	A"	3155	3155	64.88
22	A"	3130	3130	34.82
23	A"	3102	3102	1.98
24	A"	1526	1526	6.84
25	A"	1421	1421	0.59
26	A"	1349	1349	0.71
27	A"	1270	1270	0.00
28	A"	1056	1056	0.20
29	A"	880	880	1.49
30	A"	759	759	1.03
31	A"	300	300	45.32
32	A"	231	231	3.84
33	A"	131	131	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	1.431	1.289	0.000
C2	0.000	0.746	0.000
C3	-0.053	-0.785	0.000
N4	-1.393	-1.373	0.000
H5	1.444	2.382	0.000
H6	1.976	0.945	0.884
H7	1.976	0.945	-0.884
H8	-0.540	1.118	0.880
H9	-0.540	1.118	-0.880
H10	0.484	-1.164	-0.878
H11	0.484	-1.164	0.878
H12	-1.902	-1.033	-0.808
H13	-1.902	-1.033	0.808

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5300	2.5498	3.8805	1.0933	1.0948	1.0948	2.1649	2.1649	2.7716	2.7716	4.1407	4.1407
C2	1.5300		1.5321	2.5361	2.1820	2.1741	2.1741	1.0972	1.0972	2.1568	2.1568	2.7263	2.7263
C3	2.5498	1.5321		1.4634	3.5029	2.8088	2.8088	2.1522	2.1522	1.0961	1.0961	2.0329	2.0329
N4	3.8805	2.5361	1.4634		4.7063	4.1837	4.1837	2.7760	2.7760	2.0822	2.0822	1.0138	1.0138
H5	1.0933	2.1820	3.5029	4.7063		1.7699	1.7699	2.5118	2.5118	3.7769	3.7769	4.8482	4.8482
H6	1.0948	2.1741	2.8088	4.1837	1.7699		1.7689	2.5222	3.0780	3.1267	2.5829	4.6701	4.3534
H7	1.0948	2.1741	2.8088	4.1837	1.7699	1.7689		3.0780	2.5222	2.5829	3.1267	4.3534	4.6701
H8	2.1649	1.0972	2.1522	2.7760	2.5118	2.5222	3.0780		1.7597	3.0564	2.5006	3.0538	2.5461
H9	2.1649	1.0972	2.1522	2.7760	2.5118	3.0780	2.5222	1.7597		2.5006	3.0564	2.5461	3.0538
H10	2.7716	2.1568	1.0961	2.0822	3.7769	3.1267	2.5829	3.0564	2.5006		1.7551	2.3902	2.9238
H11	2.7716	2.1568	1.0961	2.0822	3.7769	2.5829	3.1267	2.5006	3.0564	1.7551		2.9238	2.3902
H12	4.1407	2.7263	2.0329	1.0138	4.8482	4.6701	4.3534	3.0538	2.5461	2.3902	2.9238		1.6156
H13	4.1407	2.7263	2.0329	1.0138	4.8482	4.3534	4.6701	2.5461	3.0538	2.9238	2.3902	1.6156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.749	C1	C2	H8	109.886
C1	C2	H9	109.886	C2	C1	H5	111.473
C2	C1	H6	110.751	C2	C1	H7	110.751
C2	C3	N4	115.678	C2	C3	H10	109.175
C2	C3	H11	109.175	C3	C2	H8	108.750
C3	C2	H9	108.750	C3	N4	H12	108.939
C3	N4	H13	108.939	N4	C3	H10	108.018
N4	C3	H11	108.018	H5	C1	H6	107.972
H5	C1	H7	107.972	H6	C1	H7	107.779
H8	C2	H9	106.624	H10	C3	H11	106.379
H12	N4	H13	105.650

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

using model chemistry: MP3=FULL/6-311G**

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: MP3=FULL/6-311G**

States and conformations

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