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	hartrees
Energy at 0K	-41.644137
Energy at 298.15K	-41.656941
Nuclear repulsion energy	113.897457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3808	3440	0.02
2	A	3796	3430	0.20
3	A	3722	3363	0.86
4	A	3717	3358	0.67
5	A	3261	2946	100.26
6	A	3247	2934	10.64
7	A	3239	2926	69.42
8	A	3200	2890	60.05
9	A	3176	2869	32.92
10	A	3095	2796	103.81
11	A	1844	1666	23.34
12	A	1832	1655	62.60
13	A	1631	1474	2.06
14	A	1624	1467	4.17
15	A	1614	1458	0.24
16	A	1567	1415	0.41
17	A	1544	1395	11.90
18	A	1518	1372	10.18
19	A	1496	1352	8.80
20	A	1460	1319	18.03
21	A	1364	1232	0.70
22	A	1310	1184	7.98
23	A	1256	1135	13.80
24	A	1176	1063	21.11
25	A	1131	1021	19.54
26	A	1091	986	3.55
27	A	1025	926	12.35
28	A	996	900	131.34
29	A	966	873	142.24
30	A	929	839	55.98
31	A	855	773	41.86
32	A	518	468	0.47
33	A	496	448	19.35
34	A	391	354	0.70
35	A	360	325	60.65
36	A	274	248	12.55
37	A	259	234	27.30
38	A	232	210	29.21
39	A	129	116	5.09

Atom	x (Å)	y (Å)	z (Å)
N1	0.477	1.390	-0.238
H2	-0.273	1.940	0.137
H3	1.325	1.863	0.017
N4	-2.066	-0.167	0.022
H5	-2.175	0.695	-0.478
H6	-2.208	0.021	0.998
C7	-0.743	-0.746	-0.221
H8	-0.735	-1.747	0.207
H9	-0.624	-0.854	-1.295
C10	1.772	-0.674	-0.018
H11	1.779	-1.690	0.369
H12	1.906	-0.714	-1.096
H13	2.627	-0.153	0.409
C14	0.460	0.036	0.335
H15	0.369	0.064	1.427

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		1.0032	1.0038	2.9930	2.7527	3.2579	2.4607	3.3926	2.7144	2.4465	3.3992	2.6839	2.7242	1.4705	2.1314
H2	1.0032		1.6051	2.7685	2.3548	2.8579	2.7505	3.7164	3.1594	3.3227	4.1771	3.6485	3.5870	2.0499	2.3656
H3	1.0038	1.6051		3.9521	3.7234	4.1039	3.3384	4.1611	3.5924	2.5766	3.5997	2.8663	2.4317	2.0468	2.4779
N4	2.9930	2.7685	3.9521		1.0025	1.0040	1.4640	2.0736	2.0701	3.8707	4.1504	4.1614	4.7084	2.5524	2.8205
H5	2.7527	2.3548	3.7234	1.0025		1.6226	2.0485	2.9167	2.3402	4.2031	4.6958	4.3615	4.9567	2.8351	3.2405
H6	3.2579	2.8579	4.1039	1.0040	1.6226		2.0541	2.4329	2.9211	4.1656	4.3846	4.6738	4.8739	2.7490	2.6131
C7	2.4607	2.7505	3.3384	1.4640	2.0485	2.0541		1.0881	1.0865	2.5239	2.7573	2.7896	3.4793	1.5384	2.1467
H8	3.3926	3.7164	4.1611	2.0736	2.9167	2.4329	1.0881		1.7510	2.7359	2.5207	3.1205	3.7264	2.1500	2.4469
H9	2.7144	3.1594	3.5924	2.0701	2.3402	2.9211	1.0865	1.7510		2.7208	3.0408	2.5413	3.7368	2.1500	3.0397
C10	2.4465	3.3227	2.5766	3.8707	4.2031	4.1656	2.5239	2.7359	2.7208		1.0873	1.0869	1.0887	1.5329	2.1445
H11	3.3992	4.1771	3.5997	4.1504	4.6958	4.3846	2.7573	2.5207	3.0408	1.0873		1.7649	1.7558	2.1734	2.4871
H12	2.6839	3.6485	2.8663	4.1614	4.3615	4.6738	2.7896	3.1205	2.5413	1.0869	1.7649		1.7601	2.1676	3.0544
H13	2.7242	3.5870	2.4317	4.7084	4.9567	4.8739	3.4793	3.7264	3.7368	1.0887	1.7558	1.7601		2.1769	2.4863
C14	1.4705	2.0499	2.0468	2.5524	2.8351	2.7490	1.5384	2.1500	2.1500	1.5329	2.1734	2.1676	2.1769		1.0966
H15	2.1314	2.3656	2.4779	2.8205	3.2405	2.6131	2.1467	2.4469	3.0397	2.1445	2.4871	3.0544	2.4863	1.0966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	109.711	N1	C14	C10	109.081
N1	C14	H15	111.426	H2	N1	H3	106.204
H2	N1	C14	110.499	H3	N1	C14	110.201
N4	C7	H8	107.777	N4	C7	H9	107.588
N4	C7	C14	116.430	H5	N4	H6	107.930
H5	N4	C7	110.912	H6	N4	C7	111.307
C7	C14	C10	110.525	C7	C14	H15	107.942
H8	C7	H9	107.259	H8	C7	C14	108.671
H9	C7	C14	108.762	C10	C14	H15	108.143
H11	C10	H12	108.530	H11	C10	H13	107.591
H11	C10	C14	110.944	H12	C10	H13	108.005
H12	C10	C14	110.509	H13	C10	C14	111.144

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

using model chemistry: HF/CEP-121G*

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	-0.805
2	H	0.313
3	H	0.329
4	N	-0.757
5	H	0.324
6	H	0.310
7	C	-0.187
8	H	0.150
9	H	0.156
10	C	-0.571
11	H	0.163
12	H	0.170
13	H	0.161
14	C	0.128
15	H	0.115

	x	y	z	Total
	1.166	1.156	1.892	2.505
CHELPG
AIM
ESP

	x	y	z
x	7.675	-0.192	-0.081
y	-0.192	7.148	-0.076
z	-0.081	-0.076	6.515

<r²>	121.639
(<r²>)^1/2	11.029

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

using model chemistry: HF/CEP-121G*

States and conformations

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