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	hartrees
Energy at 0K	-205.930898
Energy at 298.15K	-205.941171
HF Energy	-205.265524
Nuclear repulsion energy	137.478277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3549	3351	1.01
2	A	3451	3259	6.74
3	A	3097	2924	33.47
4	A	1710	1615	54.44
5	A	1412	1333	1.30
6	A	1000	945	9.16
7	A	903	853	2.01
8	A	565	534	24.57
9	A	318	300	87.79
10	E	3549	3351	0.01
10	E	3549	3351	0.01
11	E	3453	3261	0.09
11	E	3453	3261	0.09
12	E	1722	1626	25.89
12	E	1722	1626	25.89
13	E	1463	1381	30.08
13	E	1463	1381	30.08
14	E	1265	1194	63.56
14	E	1265	1194	63.56
15	E	1091	1030	41.05
15	E	1091	1030	41.05
16	E	974	920	227.35
16	E	974	920	227.35
17	E	453	427	39.84
17	E	453	427	39.84
18	E	303	286	22.04
18	E	303	286	22.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.369
H2	0.000	0.000	1.466
N3	0.000	1.398	-0.056
N4	1.211	-0.699	-0.056
N5	-1.211	-0.699	-0.056
H6	0.878	1.826	0.246
H7	1.142	-1.673	0.246
H8	-2.020	-0.152	0.246
H9	0.011	1.431	-1.079
H10	1.234	-0.725	-1.079
H11	-1.245	-0.706	-1.079

	C1	H2	N3	N4	N5	H6	H7	H8	H9	H10	H11
C1		1.0975	1.4611	1.4611	1.4611	2.0294	2.0294	2.0294	2.0361	2.0361	2.0361
H2	1.0975		2.0668	2.0668	2.0668	2.3648	2.3648	2.3648	2.9204	2.9204	2.9204
N3	1.4611	2.0668		2.4215	2.4215	1.0223	3.2906	2.5642	1.0239	2.6604	2.6504
N4	1.4611	2.0668	2.4215		2.4215	2.5642	1.0223	3.2906	2.6504	1.0239	2.6604
N5	1.4611	2.0668	2.4215	2.4215		3.2906	2.5642	1.0223	2.6604	2.6504	1.0239
H6	2.0294	2.3648	1.0223	2.5642	3.2906		3.5087	3.5087	1.6322	2.8965	3.5600
H7	2.0294	2.3648	3.2906	1.0223	2.5642	3.5087		3.5087	3.5600	1.6322	2.8965
H8	2.0294	2.3648	2.5642	3.2906	1.0223	3.5087	3.5087		2.8965	3.5600	1.6322
H9	2.0361	2.9204	1.0239	2.6504	2.6604	1.6322	3.5600	2.8965		2.4790	2.4790
H10	2.0361	2.9204	2.6604	1.0239	2.6504	2.8965	1.6322	3.5600	2.4790		2.4790
H11	2.0361	2.9204	2.6504	2.6604	1.0239	3.5600	2.8965	1.6322	2.4790	2.4790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H6	108.312	C1	N3	H9	108.757
C1	N4	H7	108.312	C1	N4	H10	108.758
C1	N5	H8	108.312	C1	N5	H11	108.758
H2	C1	N3	106.900	H2	C1	N4	106.900
H2	C1	N5	106.900	N3	C1	N4	111.915
N3	C1	N5	111.915	N4	C1	N5	111.915
H6	N3	H9	105.816	H7	N4	H10	105.816
H8	N5	H11	105.816

All results from a given calculation for CH₇N₃ (triaminomethane)

using model chemistry: CCSD/6-31G*

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 CH7N3 (triaminomethane)

using model chemistry: CCSD/6-31G*

States and conformations

All results from a given calculation for CH₇N₃ (triaminomethane)