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	hartrees
Energy at 0K	-174.259358
Energy at 298.15K	-174.269833
HF Energy	-174.070555
Nuclear repulsion energy	130.959712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3484	3304	1.50
2	A'	3154	2991	35.37
3	A'	3078	2919	48.84
4	A'	3071	2913	31.34
5	A'	3054	2897	21.19
6	A'	1720	1631	22.66
7	A'	1560	1480	3.33
8	A'	1545	1466	1.06
9	A'	1534	1455	0.17
10	A'	1458	1383	2.18
11	A'	1437	1363	5.27
12	A'	1359	1289	11.46
13	A'	1171	1110	6.41
14	A'	1113	1055	10.84
15	A'	1057	1003	2.58
16	A'	952	903	148.22
17	A'	873	828	65.70
18	A'	451	428	3.05
19	A'	269	255	4.07
20	A"	3573	3389	0.56
21	A"	3147	2985	59.63
22	A"	3119	2958	39.67
23	A"	3086	2927	6.08
24	A"	1551	1471	6.41
25	A"	1422	1349	0.46
26	A"	1356	1286	0.50
27	A"	1277	1211	0.00
28	A"	1058	1003	0.06
29	A"	880	834	1.63
30	A"	760	721	2.08
31	A"	311	295	51.42
32	A"	233	221	5.52
33	A"	136	129	0.22

Atom	x (Å)	y (Å)	z (Å)
C1	1.428	1.295	0.000
C2	0.000	0.749	0.000
C3	-0.052	-0.783	0.000
N4	-1.389	-1.383	0.000
H5	1.439	2.388	0.000
H6	1.978	0.956	0.883
H7	1.978	0.956	-0.883
H8	-0.541	1.124	0.879
H9	-0.541	1.124	-0.879
H10	0.484	-1.165	-0.876
H11	0.484	-1.165	0.876
H12	-1.907	-1.053	-0.812
H13	-1.907	-1.053	0.812

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5289	2.5513	3.8865	1.0933	1.0946	1.0946	2.1630	2.1630	2.7767	2.7767	4.1586	4.1586
C2	1.5289		1.5326	2.5443	2.1815	2.1765	2.1765	1.0977	1.0977	2.1597	2.1597	2.7463	2.7463
C3	2.5513	1.5326		1.4648	3.5044	2.8156	2.8156	2.1551	2.1551	1.0961	1.0961	2.0425	2.0425
N4	3.8865	2.5443	1.4648		4.7137	4.1937	4.1937	2.7879	2.7879	2.0788	2.0788	1.0183	1.0183
H5	1.0933	2.1815	3.5044	4.7137		1.7671	1.7671	2.5087	2.5087	3.7822	3.7822	4.8680	4.8680
H6	1.0946	2.1765	2.8156	4.1937	1.7671		1.7663	2.5252	3.0789	3.1349	2.5944	4.6909	4.3746
H7	1.0946	2.1765	2.8156	4.1937	1.7671	1.7663		3.0789	2.5252	2.5944	3.1349	4.3746	4.6909
H8	2.1630	1.0977	2.1551	2.7879	2.5087	2.5252	3.0789		1.7570	3.0604	2.5072	3.0754	2.5702
H9	2.1630	1.0977	2.1551	2.7879	2.5087	3.0789	2.5252	1.7570		2.5072	3.0604	2.5702	3.0754
H10	2.7767	2.1597	1.0961	2.0788	3.7822	3.1349	2.5944	3.0604	2.5072		1.7529	2.3944	2.9289
H11	2.7767	2.1597	1.0961	2.0788	3.7822	2.5944	3.1349	2.5072	3.0604	1.7529		2.9289	2.3944
H12	4.1586	2.7463	2.0425	1.0183	4.8680	4.6909	4.3746	3.0754	2.5702	2.3944	2.9289		1.6233
H13	4.1586	2.7463	2.0425	1.0183	4.8680	4.3746	4.6909	2.5702	3.0754	2.9289	2.3944	1.6233

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.889	C1	C2	H8	109.791
C1	C2	H9	109.791	C2	C1	H5	111.515
C2	C1	H6	111.041	C2	C1	H7	111.041
C2	C3	N4	116.150	C2	C3	H10	109.358
C2	C3	H11	109.358	C3	C2	H8	108.912
C3	C2	H9	108.912	C3	N4	H12	109.368
C3	N4	H13	109.368	N4	C3	H10	107.662
N4	C3	H11	107.662	H5	C1	H6	107.742
H5	C1	H7	107.742	H6	C1	H7	107.582
H8	C2	H9	106.326	H10	C3	H11	106.187
H12	N4	H13	105.708

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

using model chemistry: B2PLYP=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 NH2CH2CH2CH3 (1-Propanamine)

using model chemistry: B2PLYP=FULL/6-31G*

States and conformations

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