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	hartrees
Energy at 0K	-171.404091
Energy at 298.15K	-171.414398
HF Energy	-171.191586
Nuclear repulsion energy	128.441635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3585	3187	15.08
2	A'	3555	3160	2.98
3	A'	3400	3022	10.79
4	A'	3395	3017	1.03
5	A'	3375	3000	3.44
6	A'	1921	1708	4.12
7	A'	1745	1551	0.35
8	A'	1724	1533	0.69
9	A'	1702	1513	0.22
10	A'	1624	1444	0.63
11	A'	1579	1403	0.71
12	A'	1474	1311	25.61
13	A'	1309	1164	14.51
14	A'	1206	1072	1.00
15	A'	1168	1038	8.29
16	A'	1092	971	38.84
17	A'	968	860	9.46
18	A'	460	409	3.02
19	A'	280	249	3.25
20	A"	3772	3353	17.68
21	A"	3556	3161	4.13
22	A"	3518	3127	6.90
23	A"	3506	3116	0.82
24	A"	1736	1543	1.66
25	A"	1556	1383	1.09
26	A"	1468	1305	0.20
27	A"	1396	1241	0.20
28	A"	1155	1027	0.66
29	A"	951	845	2.22
30	A"	810	720	2.22
31	A"	316	280	47.52
32	A"	230	204	3.38
33	A"	117	104	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	1.460	1.307	0.000
C2	0.000	0.763	0.000
C3	-0.043	-0.807	0.000
N4	-1.434	-1.415	0.000
H5	1.466	2.411	0.000
H6	2.006	0.959	0.894
H7	2.006	0.959	-0.894
H8	-0.536	1.142	0.891
H9	-0.536	1.142	-0.891
H10	0.489	-1.188	-0.895
H11	0.489	-1.188	0.895
H12	-1.922	-0.953	-0.819
H13	-1.922	-0.953	0.819

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5585	2.5946	3.9738	1.1034	1.1033	1.1033	2.1925	2.1925	2.8229	2.8229	4.1495	4.1495
C2	1.5585		1.5703	2.6078	2.2056	2.2044	2.2044	1.1072	1.1072	2.2008	2.2008	2.7031	2.7031
C3	2.5946	1.5703		1.5180	3.5542	2.8490	2.8490	2.1990	2.1990	1.1086	1.1086	2.0546	2.0546
N4	3.9738	2.6078	1.5180		4.8009	4.2743	4.2743	2.8531	2.8531	2.1335	2.1335	1.0597	1.0597
H5	1.1034	2.2056	3.5542	4.8009		1.7881	1.7881	2.5322	2.5322	3.8345	3.8345	4.8435	4.8435
H6	1.1033	2.2044	2.8490	4.2743	1.7881		1.7873	2.5482	3.1112	3.1791	2.6285	4.6920	4.3689
H7	1.1033	2.2044	2.8490	4.2743	1.7881	1.7873		3.1112	2.5482	2.6285	3.1791	4.3689	4.6920
H8	2.1925	1.1072	2.1990	2.8531	2.5322	2.5482	3.1112		1.7829	3.1093	2.5451	3.0384	2.5124
H9	2.1925	1.1072	2.1990	2.8531	2.5322	3.1112	2.5482	1.7829		2.5451	3.1093	2.5124	3.0384
H10	2.8229	2.2008	1.1086	2.1335	3.8345	3.1791	2.6285	3.1093	2.5451		1.7893	2.4241	2.9676
H11	2.8229	2.2008	1.1086	2.1335	3.8345	2.6285	3.1791	2.5451	3.1093	1.7893		2.9676	2.4241
H12	4.1495	2.7031	2.0546	1.0597	4.8435	4.6920	4.3689	3.0384	2.5124	2.4241	2.9676		1.6376
H13	4.1495	2.7031	2.0546	1.0597	4.8435	4.3689	4.6920	2.5124	3.0384	2.9676	2.4241	1.6376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.047	C1	C2	H8	109.508
C1	C2	H9	109.508	C2	C1	H5	110.745
C2	C1	H6	110.659	C2	C1	H7	110.659
C2	C3	N4	115.205	C2	C3	H10	109.262
C2	C3	H11	109.262	C3	C2	H8	109.204
C3	C2	H9	109.204	C3	N4	H12	104.294
C3	N4	H13	104.294	N4	C3	H10	107.617
N4	C3	H11	107.617	H5	C1	H6	108.248
H5	C1	H7	108.248	H6	C1	H7	108.187
H8	C2	H9	107.250	H10	C3	H11	107.613
H12	N4	H13	101.190

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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