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	hartrees
Energy at 0K	-228.340690
Energy at 298.15K	-228.353531
Nuclear repulsion energy	195.942909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3823	3461	1.51
2	A	3814	3453	0.68
3	A	3738	3385	0.31
4	A	3731	3379	0.28
5	A	3243	2937	55.30
6	A	3226	2921	47.45
7	A	3219	2914	26.66
8	A	3174	2874	52.77
9	A	3163	2864	19.96
10	A	3065	2775	83.54
11	A	1799	1629	11.24
12	A	1790	1621	56.39
13	A	1620	1467	1.17
14	A	1612	1460	3.88
15	A	1605	1453	0.05
16	A	1556	1409	0.30
17	A	1536	1391	13.92
18	A	1517	1374	9.98
19	A	1494	1353	4.80
20	A	1460	1322	13.91
21	A	1363	1235	0.75
22	A	1305	1182	7.19
23	A	1260	1141	9.16
24	A	1185	1073	18.29
25	A	1128	1022	14.04
26	A	1091	988	2.34
27	A	1023	926	9.09
28	A	978	886	94.31
29	A	952	862	113.69
30	A	919	832	82.69
31	A	852	771	57.80
32	A	524	474	0.32
33	A	500	452	18.41
34	A	395	358	0.54
35	A	366	332	49.31
36	A	279	253	9.52
37	A	262	238	24.28
38	A	237	215	22.95
39	A	130	118	4.02

Atom	x (Å)	y (Å)	z (Å)
N1	0.499	1.384	-0.215
H2	-0.254	1.932	0.145
H3	1.343	1.850	0.050
N4	-2.048	-0.127	0.035
H5	-2.151	0.741	-0.449
H6	-2.190	0.042	1.010
C7	-0.748	-0.720	-0.221
H8	-0.749	-1.726	0.192
H9	-0.633	-0.815	-1.297
C10	1.758	-0.690	-0.025
H11	1.751	-1.708	0.352
H12	1.888	-0.720	-1.102
H13	2.620	-0.185	0.404
C14	0.464	0.034	0.334
H15	0.375	0.045	1.427

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		0.9991	0.9997	2.9720	2.7370	3.2452	2.4453	3.3749	2.6989	2.4329	3.3833	2.6726	2.7092	1.4581	2.1225
H2	0.9991		1.6019	2.7328	2.3173	2.8398	2.7219	3.6909	3.1253	3.3090	4.1607	3.6305	3.5785	2.0383	2.3663
H3	0.9997	1.6019		3.9249	3.6994	4.0824	3.3235	4.1444	3.5800	2.5740	3.5934	2.8688	2.4276	2.0372	2.4676
N4	2.9720	2.7328	3.9249		0.9986	0.9999	1.4518	2.0661	2.0618	3.8478	4.1273	4.1403	4.6828	2.5351	2.7995
H5	2.7370	2.3173	3.6994	0.9986		1.6181	2.0379	2.9083	2.3331	4.1838	4.6758	4.3447	4.9338	2.8199	3.2222
H6	3.2452	2.8398	4.0824	0.9999	1.6181		2.0437	2.4233	2.9125	4.1463	4.3621	4.6558	4.8530	2.7387	2.5983
C7	2.4453	2.7219	3.3235	1.4518	2.0379	2.0437		1.0872	1.0860	2.5136	2.7477	2.7796	3.4666	1.5314	2.1354
H8	3.3749	3.6909	4.1444	2.0661	2.9083	2.4233	1.0872		1.7488	2.7210	2.5052	3.1048	3.7103	2.1416	2.4334
H9	2.6989	3.1253	3.5800	2.0618	2.3331	2.9125	1.0860	1.7488		2.7108	3.0330	2.5303	3.7238	2.1410	3.0284
C10	2.4329	3.3090	2.5740	3.8478	4.1838	4.1463	2.5136	2.7210	2.7108		1.0858	1.0858	1.0869	1.5251	2.1350
H11	3.3833	4.1607	3.5934	4.1273	4.6758	4.3621	2.7477	2.5052	3.0330	1.0858		1.7635	1.7542	2.1656	2.4738
H12	2.6726	3.6305	2.8688	4.1403	4.3447	4.6558	2.7796	3.1048	2.5303	1.0858	1.7635		1.7578	2.1590	3.0449
H13	2.7092	3.5785	2.4276	4.6828	4.9338	4.8530	3.4666	3.7103	3.7238	1.0869	1.7542	1.7578		2.1677	2.4776
C14	1.4581	2.0383	2.0372	2.5351	2.8199	2.7387	1.5314	2.1416	2.1410	1.5251	2.1656	2.1590	2.1677		1.0959
H15	2.1225	2.3663	2.4676	2.7995	3.2222	2.5983	2.1354	2.4334	3.0284	2.1350	2.4738	3.0449	2.4776	1.0959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	109.735	N1	C14	C10	109.262
N1	C14	H15	111.633	H2	N1	H3	106.538
H2	N1	C14	110.715	H3	N1	C14	110.576
N4	C7	H8	108.062	N4	C7	H9	107.792
N4	C7	C14	116.350	H5	N4	H6	108.125
H5	N4	C7	111.186	H6	N4	C7	111.601
C7	C14	C10	110.644	C7	C14	H15	107.576
H8	C7	H9	107.163	H8	C7	C14	108.548
H9	C7	C14	108.570	C10	C14	H15	107.972
H11	C10	H12	108.593	H11	C10	H13	107.683
H11	C10	C14	110.961	H12	C10	H13	107.996
H12	C10	C14	110.430	H13	C10	C14	111.067

All results from a given calculation for C₃H₁₀N₂ (1,2-Diaminopropane)

using model chemistry: HF/6-31G(2df,p)

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	N	-0.648
2	H	0.254
3	H	0.261
4	N	-0.651
5	H	0.266
6	H	0.256
7	C	-0.093
8	H	0.121
9	H	0.133
10	C	-0.418
11	H	0.134
12	H	0.145
13	H	0.127
14	C	0.032
15	H	0.080

	x	y	z	Total
	0.952	1.043	1.636	2.162
CHELPG
AIM
ESP

	x	y	z
x	7.391	-0.222	-0.112
y	-0.222	6.902	-0.063
z	-0.112	-0.063	6.108

<r²>	143.053
(<r²>)^1/2	11.960

All results from a given calculation for C3H10N2 (1,2-Diaminopropane)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₁₀N₂ (1,2-Diaminopropane)