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	hartrees
Energy at 0K	-172.713376
Energy at 298.15K	-172.723863
HF Energy	-172.322058
Nuclear repulsion energy	129.669272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3421	3243	1.96
2	A'	3157	2993	28.21
3	A'	3088	2927	48.89
4	A'	3081	2921	13.28
5	A'	3072	2913	9.74
6	A'	1759	1668	17.70
7	A'	1607	1523	4.63
8	A'	1592	1509	1.11
9	A'	1579	1497	0.43
10	A'	1494	1416	5.03
11	A'	1433	1359	0.89
12	A'	1383	1311	2.87
13	A'	1169	1108	3.31
14	A'	1079	1023	4.18
15	A'	1016	963	6.42
16	A'	910	862	68.06
17	A'	796	755	194.76
18	A'	449	426	2.26
19	A'	267	253	4.50
20	A"	3522	3339	1.40
21	A"	3156	2992	61.15
22	A"	3138	2975	15.85
23	A"	3109	2947	1.79
24	A"	1604	1521	7.31
25	A"	1430	1356	0.97
26	A"	1387	1315	0.45
27	A"	1310	1242	0.03
28	A"	1081	1025	0.00
29	A"	902	855	2.30
30	A"	768	728	2.69
31	A"	316	300	58.66
32	A"	238	226	5.66
33	A"	141	134	0.25

Atom	x (Å)	y (Å)	z (Å)
C1	1.453	1.300	0.000
C2	0.000	0.764	0.000
C3	-0.046	-0.787	0.000
N4	-1.416	-1.385	0.000
H5	1.471	2.394	0.000
H6	1.989	0.945	0.888
H7	1.989	0.945	-0.888
H8	-0.534	1.133	0.886
H9	-0.534	1.133	-0.886
H10	0.481	-1.164	-0.884
H11	0.481	-1.164	0.884
H12	-1.936	-1.094	-0.833
H13	-1.936	-1.094	0.833

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5489	2.5699	3.9298	1.0949	1.0957	1.0957	2.1819	2.1819	2.7918	2.7918	4.2319	4.2319
C2	1.5489		1.5522	2.5740	2.1960	2.1854	2.1854	1.0979	1.0979	2.1747	2.1747	2.8095	2.8095
C3	2.5699	1.5522		1.4948	3.5251	2.8161	2.8161	2.1703	2.1703	1.0960	1.0960	2.0876	2.0876
N4	3.9298	2.5740	1.4948		4.7564	4.2205	4.2205	2.8117	2.8117	2.1051	2.1051	1.0240	1.0240
H5	1.0949	2.1960	3.5251	4.7564		1.7766	1.7766	2.5289	2.5289	3.7975	3.7975	4.9467	4.9467
H6	1.0957	2.1854	2.8161	4.2205	1.7766		1.7759	2.5294	3.0892	3.1398	2.5920	4.7455	4.4228
H7	1.0957	2.1854	2.8161	4.2205	1.7766	1.7759		3.0892	2.5294	2.5920	3.1398	4.4228	4.7455
H8	2.1819	1.0979	2.1703	2.8117	2.5289	2.5294	3.0892		1.7712	3.0720	2.5112	3.1431	2.6322
H9	2.1819	1.0979	2.1703	2.8117	2.5289	3.0892	2.5294	1.7712		2.5112	3.0720	2.6322	3.1431
H10	2.7918	2.1747	1.0960	2.1051	3.7975	3.1398	2.5920	3.0720	2.5112		1.7678	2.4187	2.9656
H11	2.7918	2.1747	1.0960	2.1051	3.7975	2.5920	3.1398	2.5112	3.0720	1.7678		2.9656	2.4187
H12	4.2319	2.8095	2.0876	1.0240	4.9467	4.7455	4.4228	3.1431	2.6322	2.4187	2.9656		1.6659
H13	4.2319	2.8095	2.0876	1.0240	4.9467	4.4228	4.7455	2.6322	3.1431	2.9656	2.4187	1.6659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	111.932	C1	C2	H8	109.875
C1	C2	H9	109.875	C2	C1	H5	111.165
C2	C1	H6	110.273	C2	C1	H7	110.273
C2	C3	N4	115.284	C2	C3	H10	109.199
C2	C3	H11	109.199	C3	C2	H8	108.754
C3	C2	H9	108.754	C3	N4	H12	110.557
C3	N4	H13	110.557	N4	C3	H10	107.691
N4	C3	H11	107.691	H5	C1	H6	108.391
H5	C1	H7	108.391	H6	C1	H7	108.266
H8	C2	H9	107.537	H10	C3	H11	107.502
H12	N4	H13	108.869

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

using model chemistry: MP2=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: MP2=FULL/3-21G*

States and conformations

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