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	hartrees
Energy at 0K	-172.767216
Energy at 298.15K	-172.777656
HF Energy	-172.320669
Nuclear repulsion energy	129.147804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3344	3273
2	A'	3096	3031
3	A'	3029	2965
4	A'	3023	2959
5	A'	3013	2949
6	A'	1742	1705
7	A'	1582	1549
8	A'	1568	1535
9	A'	1555	1522
10	A'	1473	1442
11	A'	1413	1383
12	A'	1362	1333
13	A'	1153	1129
14	A'	1062	1039
15	A'	995	974
16	A'	897	878
17	A'	800	783
18	A'	441	432
19	A'	263	258
20	A"	3440	3367
21	A"	3094	3028
22	A"	3075	3010
23	A"	3046	2981
24	A"	1580	1547
25	A"	1413	1383
26	A"	1365	1336
27	A"	1290	1263
28	A"	1068	1045
29	A"	887	868
30	A"	755	739
31	A"	313	307
32	A"	232	227
33	A"	136	133

Atom	x (Å)	y (Å)	z (Å)
C1	1.461	1.301	0.000
C2	0.000	0.767	0.000
C3	-0.046	-0.790	0.000
N4	-1.425	-1.391	0.000
H5	1.483	2.400	0.000
H6	1.997	0.942	0.891
H7	1.997	0.942	-0.891
H8	-0.535	1.138	0.889
H9	-0.535	1.138	-0.889
H10	0.482	-1.169	-0.888
H11	0.482	-1.169	0.888
H12	-1.942	-1.079	-0.834
H13	-1.942	-1.079	0.834

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5555	2.5779	3.9463	1.0991	1.1002	1.1002	2.1917	2.1917	2.8019	2.8019	4.2353	4.2353
C2	1.5555		1.5581	2.5858	2.2055	2.1938	2.1938	1.1023	1.1023	2.1843	2.1843	2.8060	2.8060
C3	2.5779	1.5581		1.5036	3.5377	2.8233	2.8233	2.1789	2.1789	1.1005	1.1005	2.0906	2.0906
N4	3.9463	2.5858	1.5036		4.7773	4.2362	4.2362	2.8241	2.8241	2.1148	2.1148	1.0291	1.0291
H5	1.0991	2.2055	3.5377	4.7773		1.7842	1.7842	2.5410	2.5410	3.8119	3.8119	4.9523	4.9523
H6	1.1002	2.1938	2.8233	4.2362	1.7842		1.7829	2.5397	3.1019	3.1498	2.5991	4.7512	4.4273
H7	1.1002	2.1938	2.8233	4.2362	1.7842	1.7829		3.1019	2.5397	2.5991	3.1498	4.4273	4.7512
H8	2.1917	1.1023	2.1789	2.8241	2.5410	2.5397	3.1019		1.7789	3.0850	2.5216	3.1403	2.6259
H9	2.1917	1.1023	2.1789	2.8241	2.5410	3.1019	2.5397	1.7789		2.5216	3.0850	2.6259	3.1403
H10	2.8019	2.1843	1.1005	2.1148	3.8119	3.1498	2.5991	3.0850	2.5216		1.7757	2.4257	2.9740
H11	2.8019	2.1843	1.1005	2.1148	3.8119	2.5991	3.1498	2.5216	3.0850	1.7757		2.9740	2.4257
H12	4.2353	2.8060	2.0906	1.0291	4.9523	4.7512	4.4273	3.1403	2.6259	2.4257	2.9740		1.6673
H13	4.2353	2.8060	2.0906	1.0291	4.9523	4.4273	4.7512	2.6259	3.1403	2.9740	2.4257	1.6673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.774	C1	C2	H8	109.925
C1	C2	H9	109.925	C2	C1	H5	111.202
C2	C1	H6	110.216	C2	C1	H7	110.216
C2	C3	N4	115.239	C2	C3	H10	109.281
C2	C3	H11	109.281	C3	C2	H8	108.761
C3	C2	H9	108.761	C3	N4	H12	109.847
C3	N4	H13	109.847	N4	C3	H10	107.600
N4	C3	H11	107.600	H5	C1	H6	108.437
H5	C1	H7	108.437	H6	C1	H7	108.253
H8	C2	H9	107.590	H10	C3	H11	107.568
H12	N4	H13	108.206

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

using model chemistry: MP4=FULL/3-21G

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: MP4=FULL/3-21G

States and conformations

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