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	hartrees
Energy at 0K	-174.167643
Energy at 298.15K	-174.178129
HF Energy	-173.352110
Nuclear repulsion energy	132.082408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3540	3361	0.80
2	A'	3168	3008	24.88
3	A'	3090	2934	65.94
4	A'	3087	2931	15.92
5	A'	3077	2921	3.30
6	A'	1665	1581	21.71
7	A'	1533	1456	6.14
8	A'	1519	1442	0.56
9	A'	1505	1428	0.04
10	A'	1423	1351	3.55
11	A'	1409	1338	5.71
12	A'	1334	1266	5.05
13	A'	1162	1103	3.68
14	A'	1129	1072	14.56
15	A'	1069	1015	0.30
16	A'	933	886	87.35
17	A'	858	815	106.87
18	A'	454	431	2.93
19	A'	264	251	3.85
20	A"	3632	3448	1.38
21	A"	3158	2998	41.54
22	A"	3127	2969	31.15
23	A"	3100	2944	0.29
24	A"	1528	1451	7.55
25	A"	1401	1330	0.33
26	A"	1340	1272	0.67
27	A"	1256	1192	0.01
28	A"	1045	992	0.05
29	A"	869	825	1.16
30	A"	759	720	1.94
31	A"	291	276	35.41
32	A"	240	228	8.90
33	A"	138	131	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	1.424	1.269	0.000
C2	0.000	0.747	0.000
C3	-0.055	-0.770	0.000
N4	-1.384	-1.363	0.000
H5	1.455	2.354	0.000
H6	1.962	0.920	0.877
H7	1.962	0.920	-0.877
H8	-0.533	1.119	0.873
H9	-0.533	1.119	-0.873
H10	0.480	-1.146	-0.870
H11	0.480	-1.146	0.870
H12	-1.899	-1.039	-0.807
H13	-1.899	-1.039	0.807

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5167	2.5192	3.8488	1.0848	1.0865	1.0865	2.1486	2.1486	2.7350	2.7350	4.1258	4.1258
C2	1.5167		1.5183	2.5236	2.1671	2.1562	2.1562	1.0885	1.0885	2.1376	2.1376	2.7292	2.7292
C3	2.5192	1.5183		1.4551	3.4693	2.7739	2.7739	2.1351	2.1351	1.0878	1.0878	2.0306	2.0306
N4	3.8488	2.5236	1.4551		4.6766	4.1446	4.1446	2.7650	2.7650	2.0678	2.0678	1.0105	1.0105
H5	1.0848	2.1671	3.4693	4.6766		1.7555	1.7555	2.4979	2.4979	3.7352	3.7352	4.8383	4.8383
H6	1.0865	2.1562	2.7739	4.1446	1.7555		1.7536	2.5036	3.0545	3.0847	2.5427	4.6456	4.3305
H7	1.0865	2.1562	2.7739	4.1446	1.7555	1.7536		3.0545	2.5036	2.5427	3.0847	4.3305	4.6456
H8	2.1486	1.0885	2.1351	2.7650	2.4979	2.5036	3.0545		1.7462	3.0316	2.4806	3.0566	2.5546
H9	2.1486	1.0885	2.1351	2.7650	2.4979	3.0545	2.5036	1.7462		2.4806	3.0316	2.5546	3.0566
H10	2.7350	2.1376	1.0878	2.0678	3.7352	3.0847	2.5427	3.0316	2.4806		1.7395	2.3818	2.9119
H11	2.7350	2.1376	1.0878	2.0678	3.7352	2.5427	3.0847	2.4806	3.0316	1.7395		2.9119	2.3818
H12	4.1258	2.7292	2.0306	1.0105	4.8383	4.6456	4.3305	3.0566	2.5546	2.3818	2.9119		1.6131
H13	4.1258	2.7292	2.0306	1.0105	4.8383	4.3305	4.6456	2.5546	3.0566	2.9119	2.3818	1.6131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.210	C1	C2	H8	110.040
C1	C2	H9	110.040	C2	C1	H5	111.747
C2	C1	H6	110.763	C2	C1	H7	110.763
C2	C3	N4	116.133	C2	C3	H10	109.099
C2	C3	H11	109.099	C3	C2	H8	108.863
C3	C2	H9	108.863	C3	N4	H12	109.572
C3	N4	H13	109.572	N4	C3	H10	107.941
N4	C3	H11	107.941	H5	C1	H6	107.902
H5	C1	H7	107.902	H6	C1	H7	107.605
H8	C2	H9	106.657	H10	C3	H11	106.177
H12	N4	H13	105.917

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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