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	hartrees
Energy at 0K	-174.150214
Energy at 298.15K	-174.160654
HF Energy	-173.351830
Nuclear repulsion energy	131.362536

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3512	3356	1.10
2	A'	3125	2986	33.60
3	A'	3051	2916	66.92
4	A'	3047	2912	9.68
5	A'	3036	2901	17.96
6	A'	1680	1606	20.39
7	A'	1528	1460	4.72
8	A'	1516	1448	0.82
9	A'	1504	1437	0.02
10	A'	1430	1366	1.50
11	A'	1421	1358	6.57
12	A'	1341	1281	7.57
13	A'	1161	1110	5.83
14	A'	1117	1067	13.53
15	A'	1057	1010	0.65
16	A'	943	901	115.09
17	A'	867	829	64.25
18	A'	450	430	2.65
19	A'	265	253	3.72
20	A"	3592	3432	0.03
21	A"	3117	2978	62.16
22	A"	3093	2955	29.33
23	A"	3064	2928	2.08
24	A"	1519	1452	6.33
25	A"	1406	1344	0.32
26	A"	1339	1279	0.59
27	A"	1259	1203	0.00
28	A"	1045	999	0.14
29	A"	867	829	1.14
30	A"	751	717	1.33
31	A"	281	268	38.03
32	A"	225	215	6.04
33	A"	132	126	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	-1.429	1.279	0.000
C2	0.000	0.747	0.000
C3	0.053	-0.779	0.000
N4	1.391	-1.369	0.000
H5	-1.447	2.369	0.000
H6	-1.974	0.936	0.881
H7	-1.974	0.936	-0.881
H8	0.537	1.121	0.877
H9	0.537	1.121	-0.877
H10	-0.482	-1.159	0.874
H11	-0.482	-1.159	-0.874
H12	1.903	-1.031	-0.806
H13	1.903	-1.031	0.806

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5247	2.5357	3.8678	1.0901	1.0918	1.0918	2.1583	2.1583	2.7574	2.7574	4.1335	4.1335
C2	1.5247		1.5263	2.5316	2.1738	2.1702	2.1702	1.0943	1.0943	2.1510	2.1510	2.7258	2.7258
C3	2.5357	1.5263		1.4622	3.4867	2.7973	2.7973	2.1476	2.1476	1.0930	1.0930	2.0338	2.0338
N4	3.8678	2.5316	1.4622		4.6927	4.1724	4.1724	2.7740	2.7740	2.0773	2.0773	1.0128	1.0128
H5	1.0901	2.1738	3.4867	4.6927		1.7633	1.7633	2.5026	2.5026	3.7603	3.7603	4.8404	4.8404
H6	1.0918	2.1702	2.7973	4.1724	1.7633		1.7623	2.5182	3.0711	2.5716	3.1136	4.6633	4.3482
H7	1.0918	2.1702	2.7973	4.1724	1.7633	1.7623		3.0711	2.5182	3.1136	2.5716	4.3482	4.6633
H8	2.1583	1.0943	2.1476	2.7740	2.5026	2.5182	3.0711		1.7536	2.4969	3.0497	3.0538	2.5496
H9	2.1583	1.0943	2.1476	2.7740	2.5026	3.0711	2.5182	1.7536		3.0497	2.4969	2.5496	3.0538
H10	2.7574	2.1510	1.0930	2.0773	3.7603	2.5716	3.1136	2.4969	3.0497		1.7487	2.9201	2.3895
H11	2.7574	2.1510	1.0930	2.0773	3.7603	3.1136	2.5716	3.0497	2.4969	1.7487		2.3895	2.9201
H12	4.1335	2.7258	2.0338	1.0128	4.8404	4.6633	4.3482	3.0538	2.5496	2.9201	2.3895		1.6111
H13	4.1335	2.7258	2.0338	1.0128	4.8404	4.3482	4.6633	2.5496	3.0538	2.3895	2.9201	1.6111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.422	C1	C2	H8	109.912
C1	C2	H9	109.912	C2	C1	H5	111.390
C2	C1	H6	111.001	C2	C1	H7	111.001
C2	C3	N4	115.777	C2	C3	H10	109.291
C2	C3	H11	109.291	C3	C2	H8	108.952
C3	C2	H9	108.952	C3	N4	H12	109.170
C3	N4	H13	109.170	N4	C3	H10	107.903
N4	C3	H11	107.903	H5	C1	H6	107.831
H5	C1	H7	107.831	H6	C1	H7	107.624
H8	C2	H9	106.507	H10	C3	H11	106.252
H12	N4	H13	105.376

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

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

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