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	hartrees
Energy at 0K	-173.557491
Energy at 298.15K	-173.567746
HF Energy	-173.557491
Nuclear repulsion energy	131.514595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3437	3385	0.66
2	A'	3068	3022	20.44
3	A'	2973	2929	35.32
4	A'	2957	2913	66.61
5	A'	2947	2903	0.17
6	A'	1596	1572	37.10
7	A'	1441	1420	12.14
8	A'	1424	1403	1.62
9	A'	1413	1392	0.18
10	A'	1348	1327	2.43
11	A'	1342	1321	16.63
12	A'	1261	1242	1.78
13	A'	1133	1116	20.66
14	A'	1104	1087	5.66
15	A'	1053	1038	0.05
16	A'	877	864	31.41
17	A'	755	744	206.03
18	A'	442	436	7.05
19	A'	255	251	6.34
20	A"	3533	3480	3.37
21	A"	3051	3005	33.44
22	A"	3009	2964	39.82
23	A"	2983	2938	0.01
24	A"	1432	1410	14.17
25	A"	1325	1305	0.15
26	A"	1265	1247	0.43
27	A"	1185	1168	0.01
28	A"	989	974	0.09
29	A"	824	812	1.48
30	A"	725	714	3.55
31	A"	278	274	44.32
32	A"	220	217	12.22
33	A"	136	133	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.421	1.269	0.000
C2	0.000	0.752	0.000
C3	-0.062	-0.764	0.000
N4	-1.375	-1.363	0.000
H5	1.466	2.371	0.000
H6	1.973	0.913	0.889
H7	1.973	0.913	-0.889
H8	-0.549	1.133	0.885
H9	-0.549	1.133	-0.885
H10	0.492	-1.147	-0.881
H11	0.492	-1.147	0.881
H12	-1.914	-1.088	-0.827
H13	-1.914	-1.088	0.827

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5121	2.5159	3.8400	1.1024	1.1049	1.1049	2.1637	2.1637	2.7336	2.7336	4.1670	4.1670
C2	1.5121		1.5170	2.5228	2.1836	2.1696	2.1696	1.1085	1.1085	2.1501	2.1501	2.7812	2.7812
C3	2.5159	1.5170		1.4439	3.4865	2.7820	2.7820	2.1487	2.1487	1.1085	1.1085	2.0546	2.0546
N4	3.8400	2.5228	1.4439		4.6915	4.1447	4.1447	2.7739	2.7739	2.0761	2.0761	1.0246	1.0246
H5	1.1024	2.1836	3.4865	4.6915		1.7806	1.7806	2.5246	2.5246	3.7541	3.7541	4.9063	4.9063
H6	1.1049	2.1696	2.7820	4.1447	1.7806		1.7780	2.5308	3.0905	3.0927	2.5365	4.6965	4.3721
H7	1.1049	2.1696	2.7820	4.1447	1.7806	1.7780		3.0905	2.5308	2.5365	3.0927	4.3721	4.6965
H8	2.1637	1.1085	2.1487	2.7739	2.5246	2.5308	3.0905		1.7694	3.0652	2.5059	3.1190	2.6079
H9	2.1637	1.1085	2.1487	2.7739	2.5246	3.0905	2.5308	1.7694		2.5059	3.0652	2.6079	3.1190
H10	2.7336	2.1501	1.1085	2.0761	3.7541	3.0927	2.5365	3.0652	2.5059		1.7611	2.4077	2.9513
H11	2.7336	2.1501	1.1085	2.0761	3.7541	2.5365	3.0927	2.5059	3.0652	1.7611		2.9513	2.4077
H12	4.1670	2.7812	2.0546	1.0246	4.9063	4.6965	4.3721	3.1190	2.6079	2.4077	2.9513		1.6542
H13	4.1670	2.7812	2.0546	1.0246	4.9063	4.3721	4.6965	2.6079	3.1190	2.9513	2.4077	1.6542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.309	C1	C2	H8	110.356
C1	C2	H9	110.356	C2	C1	H5	112.317
C2	C1	H6	111.038	C2	C1	H7	111.038
C2	C3	N4	116.841	C2	C3	H10	108.960
C2	C3	H11	108.960	C3	C2	H8	108.849
C3	C2	H9	108.849	C3	N4	H12	111.548
C3	N4	H13	111.548	N4	C3	H10	108.135
N4	C3	H11	108.135	H5	C1	H6	107.539
H5	C1	H7	107.539	H6	C1	H7	107.134
H8	C2	H9	105.901	H10	C3	H11	105.188
H12	N4	H13	107.659

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

using model chemistry: LSDA/6-31+G**

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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Number	Element	Mulliken
1	C	-0.668
2	C	-0.208
3	C	-0.366
4	N	-0.630
5	H	0.186
6	H	0.184
7	H	0.184
8	H	0.177
9	H	0.177
10	H	0.176
11	H	0.176
12	H	0.306
13	H	0.306

	x	y	z
x	7.774	0.581	0.000
y	0.581	7.601	0.000
z	0.000	0.000	6.475

<r²>	112.159
(<r²>)^1/2	10.590

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

using model chemistry: LSDA/6-31+G**

States and conformations

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