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	hartrees
Energy at 0K	-173.995776
Energy at 298.15K	-174.006259
HF Energy	-173.298123
Nuclear repulsion energy	130.368525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3458	3337
2	A'	3142	3033
3	A'	3050	2943
4	A'	3042	2936
5	A'	3030	2925
6	A'	1660	1602
7	A'	1501	1449
8	A'	1489	1437
9	A'	1477	1425
10	A'	1412	1363
11	A'	1402	1353
12	A'	1319	1273
13	A'	1161	1121
14	A'	1113	1075
15	A'	1061	1024
16	A'	964	931
17	A'	875	844
18	A'	448	433
19	A'	263	254
20	A"	3543	3419
21	A"	3134	3025
22	A"	3098	2990
23	A"	3071	2964
24	A"	1493	1441
25	A"	1397	1348
26	A"	1318	1272
27	A"	1243	1199
28	A"	1037	1001
29	A"	859	829
30	A"	745	719
31	A"	318	307
32	A"	236	228
33	A"	135	130

Atom	x (Å)	y (Å)	z (Å)
C1	1.433	1.295	0.000
C2	0.000	0.747	0.000
C3	-0.053	-0.789	0.000
N4	-1.397	-1.386	0.000
H5	1.445	2.400	0.000
H6	1.988	0.950	0.893
H7	1.988	0.950	-0.893
H8	-0.547	1.124	0.888
H9	-0.547	1.124	-0.888
H10	0.491	-1.173	-0.886
H11	0.491	-1.173	0.886
H12	-1.905	-1.007	-0.808
H13	-1.905	-1.007	0.808

	C1	C2	C3	N4	H5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5343	2.5596	3.8987	1.1044	1.1062	1.1062	2.1771	2.1771	2.7866	2.7866	4.1345	4.1345
C2	1.5343		1.5369	2.5500	2.1954	2.1883	2.1883	1.1095	1.1095	2.1708	2.1708	2.7124	2.7124
C3	2.5596	1.5369		1.4712	3.5229	2.8257	2.8257	2.1667	2.1667	1.1082	1.1082	2.0324	2.0324
N4	3.8987	2.5500	1.4712		4.7340	4.2087	4.2087	2.7953	2.7953	2.0967	2.0967	1.0267	1.0267
H5	1.1044	2.1954	3.5229	4.7340		1.7866	1.7866	2.5269	2.5269	3.8026	3.8026	4.8456	4.8456
H6	1.1062	2.1883	2.8257	4.2087	1.7866		1.7855	2.5409	3.1029	3.1484	2.5978	4.6769	4.3576
H7	1.1062	2.1883	2.8257	4.2087	1.7866	1.7855		3.1029	2.5409	2.5978	3.1484	4.3576	4.6769
H8	2.1771	1.1095	2.1667	2.7953	2.5269	2.5409	3.1029		1.7763	3.0828	2.5212	3.0433	2.5281
H9	2.1771	1.1095	2.1667	2.7953	2.5269	3.1029	2.5409	1.7763		2.5212	3.0828	2.5281	3.0433
H10	2.7866	2.1708	1.1082	2.0967	3.8026	3.1484	2.5978	3.0828	2.5212		1.7720	2.4029	2.9388
H11	2.7866	2.1708	1.1082	2.0967	3.8026	2.5978	3.1484	2.5212	3.0828	1.7720		2.9388	2.4029
H12	4.1345	2.7124	2.0324	1.0267	4.8456	4.6769	4.3576	3.0433	2.5281	2.4029	2.9388		1.6158
H13	4.1345	2.7124	2.0324	1.0267	4.8456	4.3576	4.6769	2.5281	3.0433	2.9388	2.4029	1.6158

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	112.905	C1	C2	H8	109.830
C1	C2	H9	109.830	C2	C1	H5	111.569
C2	C1	H6	110.903	C2	C1	H7	110.903
C2	C3	N4	115.909	C2	C3	H10	109.241
C2	C3	H11	109.241	C3	C2	H8	108.847
C3	C2	H9	108.847	C3	N4	H12	107.575
C3	N4	H13	107.575	N4	C3	H10	107.922
N4	C3	H11	107.922	H5	C1	H6	107.840
H5	C1	H7	107.840	H6	C1	H7	107.621
H8	C2	H9	106.363	H10	C3	H11	106.167
H12	N4	H13	103.792

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

using model chemistry: MP4=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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