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	hartrees
Energy at 0K	-229.778584
Energy at 298.15K	-229.791024
Nuclear repulsion energy	194.882795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3640	3495	2.21
2	A	3617	3473	1.41
3	A	3536	3395	0.53
4	A	3528	3388	0.75
5	A	3134	3009	28.00
6	A	3120	2996	31.46
7	A	3100	2976	25.57
8	A	3047	2926	52.90
9	A	3042	2921	14.59
10	A	2925	2808	85.80
11	A	1665	1598	5.46
12	A	1656	1590	76.15
13	A	1501	1442	4.37
14	A	1491	1432	7.62
15	A	1474	1415	1.18
16	A	1416	1360	4.12
17	A	1405	1349	14.57
18	A	1392	1337	7.07
19	A	1370	1315	12.39
20	A	1338	1285	7.20
21	A	1258	1208	1.02
22	A	1200	1152	2.79
23	A	1173	1127	5.96
24	A	1121	1076	23.92
25	A	1047	1005	8.90
26	A	1020	979	1.12
27	A	954	915	2.89
28	A	888	853	26.66
29	A	864	829	81.13
30	A	820	787	103.18
31	A	763	733	161.60
32	A	492	472	1.55
33	A	468	449	23.15
34	A	367	353	1.90
35	A	348	334	53.23
36	A	259	248	16.96
37	A	241	231	26.99
38	A	219	211	21.08
39	A	122	117	4.25

Atom	x (Å)	y (Å)	z (Å)
N1	0.505	1.388	-0.213
H2	-0.267	1.943	0.144
H3	1.360	1.867	0.057
N4	-2.057	-0.129	0.032
H5	-2.182	0.743	-0.469
H6	-2.222	0.034	1.021
C7	-0.748	-0.716	-0.219
H8	-0.748	-1.734	0.191
H9	-0.628	-0.806	-1.305
C10	1.760	-0.694	-0.028
H11	1.747	-1.724	0.342
H12	1.886	-0.716	-1.116
H13	2.636	-0.198	0.404
C14	0.471	0.033	0.340
H15	0.381	0.037	1.444

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0156	1.0156	2.9878	2.7750	3.2853	2.4493	3.3885	2.7003	2.4382	3.3970	2.6741	2.7271	1.4641	2.1414
H2	1.0156		1.6305	2.7407	2.3412	2.8701	2.7267	3.7089	3.1285	3.3308	4.1891	3.6463	3.6165	2.0575	2.3964
H3	1.0156	1.6305		3.9565	3.7520	4.1369	3.3449	4.1740	3.5983	2.5931	3.6231	2.8849	2.4518	2.0571	2.4956
N4	2.9878	2.7407	3.9565		1.0138	1.0150	1.4558	2.0772	2.0708	3.8590	4.1366	4.1489	4.7082	2.5517	2.8215
H5	2.7750	2.3412	3.7520	1.0138		1.6502	2.0605	2.9375	2.3479	4.2187	4.7099	4.3701	4.9859	2.8628	3.2744
H6	3.2853	2.8701	4.1369	1.0150	1.6502		2.0662	2.4465	2.9418	4.1816	4.3937	4.6911	4.9024	2.7777	2.6366
C7	2.4493	2.7267	3.3449	1.4558	2.0605	2.0662		1.0977	1.0968	2.5158	2.7496	2.7835	3.4803	1.5362	2.1464
H8	3.3885	3.7089	4.1740	2.0772	2.9375	2.4465	1.0977		1.7653	2.7237	2.4994	3.1122	3.7224	2.1516	2.4453
H9	2.7003	3.1285	3.5983	2.0708	2.3479	2.9418	1.0968	1.7653		2.7106	3.0333	2.5234	3.7350	2.1489	3.0475
C10	2.4382	3.3308	2.5931	3.8590	4.2187	4.1816	2.5158	2.7237	2.7106		1.0950	1.0955	1.0961	1.5248	2.1461
H11	3.3970	4.1891	3.6231	4.1366	4.7099	4.3937	2.7496	2.4994	3.0333	1.0950		1.7787	1.7679	2.1717	2.4872
H12	2.6741	3.6463	2.8849	4.1489	4.3701	4.6911	2.7835	3.1122	2.5234	1.0955	1.7787		1.7730	2.1641	3.0643
H13	2.7271	3.6165	2.4518	4.7082	4.9859	4.9024	3.4803	3.7224	3.7350	1.0961	1.7679	1.7730		2.1782	2.4947
C14	1.4641	2.0575	2.0571	2.5517	2.8628	2.7777	1.5362	2.1516	2.1489	1.5248	2.1717	2.1641	2.1782		1.1080
H15	2.1414	2.3964	2.4956	2.8215	3.2744	2.6366	2.1464	2.4453	3.0475	2.1461	2.4872	3.0643	2.4947	1.1080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	109.418	N1	C14	C10	109.301
N1	C14	H15	111.980	H2	N1	H3	106.783
H2	N1	C14	110.840	H3	N1	C14	110.810
N4	C7	H8	108.052	N4	C7	H9	107.607
N4	C7	C14	117.021	H5	N4	H6	108.852
H5	N4	C7	111.852	H6	N4	C7	112.261
C7	C14	C10	110.548	C7	C14	H15	107.425
H8	C7	H9	107.114	H8	C7	C14	108.397
H9	C7	C14	108.246	C10	C14	H15	108.154
H11	C10	H12	108.582	H11	C10	H13	107.581
H11	C10	C14	110.916	H12	C10	H13	107.997
H12	C10	C14	110.281	H13	C10	C14	111.370

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

using model chemistry: B3PW91/6-31+G**

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	-0.602
2	H	0.284
3	H	0.288
4	N	-0.644
5	H	0.301
6	H	0.292
7	C	-0.295
8	H	0.149
9	H	0.164
10	C	-0.630
11	H	0.162
12	H	0.179
13	H	0.154
14	C	0.071
15	H	0.128

	x	y	z	Total
	1.044	1.028	1.752	2.284
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	144.700
(<r²>)^1/2	12.029

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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