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	hartrees
Energy at 0K	-228.408311
Energy at 298.15K	-228.421131
HF Energy	-228.408311
Nuclear repulsion energy	196.111245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3820	3462	2.59
2	A	3809	3453	1.41
3	A	3737	3387	0.21
4	A	3732	3382	0.79
5	A	3228	2926	65.34
6	A	3212	2911	51.56
7	A	3208	2908	20.53
8	A	3170	2873	53.66
9	A	3157	2861	21.90
10	A	3062	2775	81.91
11	A	1795	1627	17.18
12	A	1788	1621	52.43
13	A	1618	1467	1.93
14	A	1612	1461	5.91
15	A	1606	1455	0.15
16	A	1553	1408	0.33
17	A	1535	1392	13.00
18	A	1515	1374	11.41
19	A	1491	1351	4.80
20	A	1462	1325	10.38
21	A	1361	1234	0.89
22	A	1303	1181	5.41
23	A	1258	1140	8.95
24	A	1179	1068	24.90
25	A	1128	1022	11.56
26	A	1089	987	2.92
27	A	1019	924	3.51
28	A	965	875	44.05
29	A	936	849	120.10
30	A	906	822	100.81
31	A	839	760	91.40
32	A	525	475	0.31
33	A	502	455	17.54
34	A	396	359	0.97
35	A	351	318	48.42
36	A	281	255	12.24
37	A	260	236	19.40
38	A	236	214	23.40
39	A	134	121	3.64

Atom	x (Å)	y (Å)	z (Å)
N1	0.524	1.387	-0.216
H2	-0.215	1.951	0.146
H3	1.369	1.841	0.059
N4	-2.057	-0.118	0.032
H5	-2.158	0.744	-0.458
H6	-2.197	0.069	1.003
C7	-0.754	-0.715	-0.215
H8	-0.767	-1.711	0.211
H9	-0.641	-0.828	-1.286
C10	1.747	-0.706	-0.026
H11	1.728	-1.722	0.350
H12	1.878	-0.738	-1.100
H13	2.614	-0.215	0.402
C14	0.465	0.033	0.331
H15	0.382	0.055	1.420

	N1	H2	H3	N4	H5	H6	C7	H8	H9	C10	H11	H12	H13	C14	H15
N1		0.9973	0.9985	2.9980	2.7684	3.2598	2.4598	3.3836	2.7220	2.4316	3.3819	2.6701	2.7046	1.4617	2.1145
H2	0.9973		1.5899	2.7731	2.3663	2.8649	2.7439	3.7047	3.1557	3.3072	4.1605	3.6279	3.5715	2.0437	2.3610
H3	0.9985	1.5899		3.9471	3.7300	4.0925	3.3343	4.1482	3.6026	2.5765	3.5931	2.8732	2.4275	2.0400	2.4527
N4	2.9980	2.7731	3.9471		0.9967	0.9987	1.4541	2.0579	2.0611	3.8497	4.1236	4.1412	4.6865	2.5443	2.8115
H5	2.7684	2.3663	3.7300	0.9967		1.6099	2.0387	2.9001	2.3362	4.1877	4.6729	4.3467	4.9424	2.8299	3.2329
H6	3.2598	2.8649	4.0925	0.9987	1.6099		2.0446	2.4172	2.9101	4.1490	4.3641	4.6561	4.8565	2.7459	2.6123
C7	2.4598	2.7439	3.3343	1.4541	2.0387	2.0446		1.0842	1.0831	2.5085	2.7382	2.7769	3.4605	1.5311	2.1349
H8	3.3836	3.7047	4.1482	2.0579	2.9001	2.4172	1.0842		1.7433	2.7179	2.4993	3.1084	3.7022	2.1388	2.4295
H9	2.7220	3.1557	3.6026	2.0611	2.3362	2.9101	1.0831	1.7433		2.7034	3.0151	2.5274	3.7178	2.1404	3.0253
C10	2.4316	3.3072	2.5765	3.8497	4.1877	4.1490	2.5085	2.7179	2.7034		1.0833	1.0830	1.0842	1.5219	2.1292
H11	3.3819	4.1605	3.5931	4.1236	4.6729	4.3641	2.7382	2.4993	3.0151	1.0833		1.7586	1.7490	2.1624	2.4736
H12	2.6701	3.6279	2.8732	4.1412	4.3467	4.6561	2.7769	3.1084	2.5274	1.0830	1.7586		1.7528	2.1536	3.0363
H13	2.7046	3.5715	2.4275	4.6865	4.9424	4.8565	3.4605	3.7022	3.7178	1.0842	1.7490	1.7528		2.1640	2.4680
C14	1.4617	2.0437	2.0400	2.5443	2.8299	2.7459	1.5311	2.1388	2.1404	1.5219	2.1624	2.1536	2.1640		1.0925
H15	2.1145	2.3610	2.4527	2.8115	3.2329	2.6123	2.1349	2.4295	3.0253	2.1292	2.4736	3.0363	2.4680	1.0925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C14	C7	110.530	N1	C14	C10	109.153
N1	C14	H15	110.928	H2	N1	H3	105.619
H2	N1	C14	111.012	H3	N1	C14	110.618
N4	C7	H8	107.444	N4	C7	H9	107.752
N4	C7	C14	116.906	H5	N4	H6	107.574
H5	N4	C7	111.204	H6	N4	C7	111.586
C7	C14	C10	110.502	C7	C14	H15	107.758
H8	C7	H9	107.093	H8	C7	C14	108.528
H9	C7	C14	108.714	C10	C14	H15	107.932
H11	C10	H12	108.546	H11	C10	H13	107.586
H11	C10	C14	111.082	H12	C10	H13	107.954
H12	C10	C14	110.397	H13	C10	C14	111.157

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

using model chemistry: HF/Def2TZVPP

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	-0.435
2	H	0.124
3	H	0.136
4	N	-0.415
5	H	0.136
6	H	0.128
7	C	0.074
8	H	0.035
9	H	0.043
10	C	-0.209
11	H	0.050
12	H	0.064
13	H	0.047
14	C	0.211
15	H	0.010

	x	y	z	Total
	0.961	0.981	1.677	2.167
CHELPG
AIM
ESP

	x	y	z
x	8.281	-0.184	-0.070
y	-0.184	7.638	-0.026
z	-0.070	-0.026	6.858

<r²>	143.317
(<r²>)^1/2	11.972

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

using model chemistry: HF/Def2TZVPP

States and conformations

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