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	hartrees
Energy at 0K	-173.925551
Energy at 298.15K	-173.936037
HF Energy	-173.280631
Nuclear repulsion energy	130.734954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3437	3336
2	A'	3127	3035
3	A'	3048	2959
4	A'	3041	2952
5	A'	3025	2936
6	A'	1719	1669
7	A'	1554	1508
8	A'	1540	1495
9	A'	1532	1487
10	A'	1458	1415
11	A'	1436	1394
12	A'	1353	1313
13	A'	1176	1142
14	A'	1119	1086
15	A'	1066	1035
16	A'	969	941
17	A'	883	857
18	A'	454	441
19	A'	272	264
20	A"	3526	3422
21	A"	3120	3029
22	A"	3089	2998
23	A"	3058	2968
24	A"	1544	1499
25	A"	1417	1375
26	A"	1350	1311
27	A"	1277	1240
28	A"	1055	1024
29	A"	879	853
30	A"	755	733
31	A"	308	299
32	A"	236	229
33	A"	136	132

Atom	x (Å)	y (Å)	z (Å)
C1	1.430	1.293	0.000
C2	0.000	0.749	0.000
C3	-0.050	-0.783	0.000
N4	-1.393	-1.382	0.000
H5	1.443	2.390	0.000
H6	1.980	0.949	0.887
H7	1.980	0.949	-0.887
H8	-0.544	1.123	0.883
H9	-0.544	1.123	-0.883
H10	0.486	-1.168	-0.881
H11	0.486	-1.168	0.881
H12	-1.909	-1.036	-0.814
H13	-1.909	-1.036	0.814

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5301	2.5495	3.8887	1.0977	1.0988	1.0988	2.1686	2.1686	2.7781	2.7781	4.1513	4.1513
C2	1.5301		1.5325	2.5454	2.1856	2.1789	2.1789	1.1023	1.1023	2.1641	2.1641	2.7370	2.7370
C3	2.5495	1.5325		1.4700	3.5070	2.8124	2.8124	2.1581	2.1581	1.1007	1.1007	2.0444	2.0444
N4	3.8887	2.5454	1.4700		4.7192	4.1948	4.1948	2.7888	2.7888	2.0865	2.0865	1.0235	1.0235
H5	1.0977	2.1856	3.5070	4.7192		1.7755	1.7755	2.5158	2.5158	3.7878	3.7878	4.8617	4.8617
H6	1.0988	2.1789	2.8124	4.1948	1.7755		1.7744	2.5296	3.0872	3.1362	2.5904	4.6857	4.3668
H7	1.0988	2.1789	2.8124	4.1948	1.7755	1.7744		3.0872	2.5296	2.5904	3.1362	4.3668	4.6857
H8	2.1686	1.1023	2.1581	2.7888	2.5158	2.5296	3.0872		1.7651	3.0690	2.5119	3.0669	2.5560
H9	2.1686	1.1023	2.1581	2.7888	2.5158	3.0872	2.5296	1.7651		2.5119	3.0690	2.5560	3.0669
H10	2.7781	2.1641	1.1007	2.0865	3.7878	3.1362	2.5904	3.0690	2.5119		1.7615	2.3996	2.9368
H11	2.7781	2.1641	1.1007	2.0865	3.7878	2.5904	3.1362	2.5119	3.0690	1.7615		2.9368	2.3996
H12	4.1513	2.7370	2.0444	1.0235	4.8617	4.6857	4.3668	3.0669	2.5560	2.3996	2.9368		1.6273
H13	4.1513	2.7370	2.0444	1.0235	4.8617	4.3668	4.6857	2.5560	3.0669	2.9368	2.3996	1.6273

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.708	C1	C2	H8	109.878
C1	C2	H9	109.878	C2	C1	H5	111.494
C2	C1	H6	110.889	C2	C1	H7	110.889
C2	C3	N4	115.925	C2	C3	H10	109.451
C2	C3	H11	109.451	C3	C2	H8	108.892
C3	C2	H9	108.892	C3	N4	H12	108.825
C3	N4	H13	108.825	N4	C3	H10	107.643
N4	C3	H11	107.643	H5	C1	H6	107.865
H5	C1	H7	107.865	H6	C1	H7	107.682
H8	C2	H9	106.387	H10	C3	H11	106.287
H12	N4	H13	105.308

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

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/6-31G*

States and conformations

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