WebMO Job Summary

395628: H4N2 hydrazine conformer, Coordinate Scan - Gaussian

Calculated Quantities

Expand all

Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) OPT(AddRedundant) NOSYMMETRY
Method B3LYP
Stoichiometry H4N2
Symmetry C1
Basis 6-311+G(2d,p)
RB3LYP Energy -111.911270139 Hartree
Dipole Moment 1.6928 Debye
Server class (397201)
CPU time 29165.6 sec

Rotational Constants

Constant Frequency (GHz) Frequency (cm-1)
a 143.2112265 4.77701231897
b 24.3126342 0.81098218288
c 23.5331841 0.78498252614

Partial Charges

Atom Symbol Charge
1 H 0.207566  
2 N -0.447651  
3 N -0.447651  
4 H 0.207566  
5 H 0.240085  
6 H 0.240085  

Coordinate Scan

Coordinate Energy (au)  
0.000035 -111.91127  
0.999839 -111.911183  
1.999926 -111.911095  
2.999925 -111.911006  
3.999925 -111.910917  
4.999925 -111.910829  
5.999925 -111.91074  
6.999925 -111.910652  
7.999824 -111.910564  
8.999824 -111.910476  
9.999824 -111.91039  
10.999824 -111.910304  
11.999824 -111.910218  
12.999823 -111.910134  
13.999823 -111.910051  
14.999823 -111.90997  
15.999822 -111.909889  
16.999822 -111.90981  
17.999821 -111.909733  
18.999820 -111.909657  
19.999820 -111.909582  
20.999819 -111.90951  
21.999818 -111.909439  
22.999920 -111.90937  
23.999919 -111.909303  
24.999918 -111.909238  
25.999918 -111.909175  
26.999917 -111.909114  
27.999916 -111.909056  
28.999916 -111.908999  
29.999915 -111.908944  
30.999914 -111.908891  
31.999913 -111.908841  
32.999912 -111.908792  
33.999912 -111.908746  
34.999911 -111.908701  
35.999910 -111.908659  
36.999909 -111.908618  
37.999908 -111.90858  
38.999906 -111.908543  
39.999905 -111.908509  
40.999904 -111.908476  
41.999903 -111.908445  
42.999902 -111.908416  
43.999900 -111.908389  
44.999899 -111.908363  
45.999897 -111.908339  
46.999896 -111.908317  
47.999895 -111.908295  
48.999893 -111.908276  
49.999891 -111.908258  
50.999890 -111.908241  
51.999888 -111.908225  
52.999886 -111.908211  
53.999884 -111.908198  
54.999883 -111.908185  
55.999881 -111.908174  
56.999879 -111.908164  
57.999877 -111.908155  
58.999875 -111.908147  
59.999872 -111.908139  
60.999870 -111.908132  
61.999868 -111.908126  
62.999866 -111.908121  
63.999863 -111.908116  
64.999861 -111.908112  
65.999858 -111.908109  
66.999856 -111.908106  
67.999853 -111.908104  
68.999850 -111.908102  
69.999847 -111.9081  
70.999844 -111.9081  
71.999841 -111.908099  
72.999838 -111.9081  
73.999834 -111.9081  
74.999831 -111.908102  
75.999827 -111.908103  
76.999823 -111.908106  
77.999819 -111.908109  
78.999815 -111.908112  
79.999914 -111.908117  
80.999912 -111.908122  
81.999910 -111.908127  
82.999908 -111.908134  
83.999905 -111.908142  
84.999903 -111.908151  
85.999900 -111.90816  
86.999898 -111.908171  
87.999895 -111.908184  
88.999892 -111.908198  
89.999889 -111.908213  
90.999886 -111.90823  
91.999882 -111.908249  
92.999879 -111.90827  
93.999875 -111.908293  
94.999871 -111.908319  
95.999867 -111.908347  
96.999862 -111.908378  
97.999858 -111.908411  
98.999853 -111.908448  
99.999848 -111.908488  
100.999842 -111.908532  
101.999837 -111.90858  
102.999831 -111.908632  
103.999923 -111.908687  
104.999920 -111.908748  
105.999917 -111.908813  
106.999915 -111.908883  
107.999912 -111.908958  
108.999909 -111.909038  
109.999907 -111.909124  
110.999905 -111.909215  
111.999903 -111.909311  
112.999901 -111.909413  
113.999900 -111.90952  
114.999899 -111.909632  
115.999900 -111.909749  
116.999901 -111.909871  
117.999903 -111.909996  
118.999905 -111.910125  
119.999909 -111.910256  
120.999911 -111.91039  
121.999917 -111.910524  
122.999922 -111.91066  
123.999928 -111.910795  
124.999934 -111.910929  
125.999939 -111.911061  
126.999862 -111.911191  
127.999873 -111.911318  
128.999884 -111.911442  
129.999893 -111.911562  
130.999901 -111.911678  
131.999909 -111.911789  
132.999915 -111.911896  
133.999921 -111.911997  
134.999926 -111.912093  
135.999930 -111.912184  
136.999934 -111.912269  
137.999937 -111.912348  
138.999940 -111.912421  
139.999942 -111.912489  
140.999944 -111.91255  
141.999865 -111.912606  
142.999869 -111.912655  
143.999873 -111.912698  
144.999876 -111.912735  
145.999879 -111.912765  
146.999882 -111.91279  
147.999884 -111.912808  
148.999886 -111.91282  
149.999888 -111.912826  
150.999890 -111.912825  
151.999891 -111.912819  
152.999892 -111.912806  
153.999893 -111.912787  
154.999894 -111.912762  
155.999895 -111.912731  
156.999895 -111.912694  
157.999896 -111.912651  
158.999896 -111.912602  
159.999896 -111.912548  
160.999896 -111.912487  
161.999897 -111.912421  
162.999897 -111.912348  
163.999896 -111.912271  
164.999910 -111.912187  
165.999911 -111.912098  
166.999910 -111.912004  
167.999910 -111.911904  
168.999910 -111.911799  
169.999910 -111.911688  
170.999910 -111.911573  
171.999909 -111.911452  
172.999909 -111.911326  
173.999909 -111.911195  
174.999908 -111.911059  
175.999908 -111.910919  
176.999907 -111.910773  
177.999907 -111.910623  
178.999906 -111.910469  
179.999905 -111.91031  
-179.000096 -111.910146  
-178.000096 -111.909979  
-177.000097 -111.909807  
-176.000098 -111.909631  
-175.000099 -111.909451  
-174.000100 -111.909267  
-173.000101 -111.90908  
-172.000102 -111.908889  
-171.000103 -111.908694  
-170.000104 -111.908497  
-169.000106 -111.908296  
-168.000107 -111.908091  
-167.000108 -111.907884  
-166.000110 -111.907674  
-165.000111 -111.907462  
-164.000113 -111.907247  
-163.000114 -111.90703  
-162.000116 -111.90681  
-161.000118 -111.906589  
-160.000119 -111.906366  
-159.000121 -111.906141  
-158.000123 -111.905915  
-157.000125 -111.905688  
-156.000127 -111.905459  
-155.000129 -111.90523  
-154.000131 -111.905001  
-153.000133 -111.904771  
-152.000135 -111.904541  
-151.000138 -111.904311  
-150.000140 -111.904082  
-149.000143 -111.903853  
-148.000145 -111.903625  
-147.000064 -111.903399  
-146.000065 -111.903174  
-145.000066 -111.90295  
-144.000067 -111.902729  
-143.000069 -111.90251  
-142.000070 -111.902294  
-141.000071 -111.90208  
-140.000072 -111.90187  
-139.000074 -111.901664  
-138.000075 -111.901461  
-137.000076 -111.901263  
-136.000078 -111.901069  
-135.000079 -111.90088  
-134.000081 -111.900697  
-133.000082 -111.900519  
-132.000084 -111.900347  
-131.000085 -111.900181  
-130.000087 -111.900021  
-129.000088 -111.899869  
-128.000090 -111.899723  
-127.000091 -111.899586  
-126.000093 -111.899456  
-125.000094 -111.899334  
-124.000096 -111.899221  
-123.000098 -111.899117  
-122.000099 -111.899021  
-121.000101 -111.898936  
-120.000103 -111.898859  
-119.000104 -111.898793  
-118.000106 -111.898737  
-117.000107 -111.898692  
-116.000109 -111.898657  
-115.000111 -111.898632  
-114.000112 -111.898619  
-113.000114 -111.898618  
-112.000115 -111.898627  
-111.000117 -111.898648  
-110.000119 -111.89868  
-109.000120 -111.898724  
-108.000122 -111.89878  
-107.000123 -111.898848  
-106.000125 -111.898927  
-105.000126 -111.899018  
-104.000127 -111.89912  
-103.000129 -111.899234  
-102.000130 -111.89936  
-101.000131 -111.899496  
-100.000132 -111.899644  
-99.000133 -111.899803  
-98.000134 -111.899972  
-97.000134 -111.900152  
-96.000135 -111.900342  
-95.000057 -111.900542  
-94.000057 -111.900751  
-93.000057 -111.900969  
-92.000056 -111.901195  
-91.000056 -111.90143  
-90.000055 -111.901672  
-89.000055 -111.901921  
-88.000054 -111.902177  
-87.000053 -111.902438  
-86.000131 -111.902705  
-85.000129 -111.902977  
-84.000126 -111.903253  
-83.000123 -111.903532  
-82.000120 -111.903814  
-81.000116 -111.904098  
-80.000112 -111.904384  
-79.000108 -111.904671  
-78.000104 -111.904958  
-77.000099 -111.905245  
-76.000095 -111.905531  
-75.000090 -111.905815  
-74.000086 -111.906097  
-73.000081 -111.906377  
-72.000077 -111.906654  
-71.000073 -111.906927  
-70.000069 -111.907196  
-69.000065 -111.907461  
-68.000062 -111.907721  
-67.000058 -111.907977  
-66.000055 -111.908227  
-65.000053 -111.908471  
-64.000050 -111.90871  
-63.000127 -111.908943  
-62.000122 -111.90917  
-61.000117 -111.90939  
-60.000113 -111.909604  
-59.000109 -111.909811  
-58.000106 -111.910012  
-57.000103 -111.910205  
-56.000100 -111.910392  
-55.000098 -111.910572  
-54.000096 -111.910745  
-53.000094 -111.910911  
-52.000092 -111.91107  
-51.000091 -111.911222  
-50.000090 -111.911366  
-49.000088 -111.911504  
-48.000087 -111.911634  
-47.000087 -111.911757  
-46.000086 -111.911873  
-45.000085 -111.911982  
-44.000085 -111.912085  
-43.000085 -111.91218  
-42.000084 -111.912268  
-41.000084 -111.912349  
-40.000084 -111.912424  
-39.000084 -111.912492  
-38.000084 -111.912553  
-37.000084 -111.912608  
-36.000084 -111.912657  
-35.000084 -111.912699  
-34.000084 -111.912735  
-33.000084 -111.912765  
-32.000084 -111.912788  
-31.000084 -111.912806  
-30.000084 -111.912818  
-29.000085 -111.912825  
-28.000085 -111.912826  
-27.000085 -111.912822  
-26.000085 -111.912812  
-25.000086 -111.912798  
-24.000086 -111.912778  
-23.000086 -111.912754  
-22.000087 -111.912725  
-21.000087 -111.912692  
-20.000087 -111.912655  
-19.000088 -111.912613  
-18.000088 -111.912568  
-17.000088 -111.912518  
-16.000089 -111.912465  
-15.000089 -111.912409  
-14.000089 -111.912349  
-13.000090 -111.912287  
-12.000090 -111.912221  
-11.000090 -111.912153  
-10.000091 -111.912082  
-9.000091 -111.912008  
-8.000075 -111.911933  
-7.000075 -111.911855  
-6.000075 -111.911776  
-5.000075 -111.911695  
-4.000075 -111.911612  
-3.000075 -111.911528  
-2.000075 -111.911443  
-1.000075 -111.911357  
-0.000075 -111.91127  
Animation speed  
Loop  

Quote

TO BEHOLD HARMS OF OUR OWN HANDS DOING, WHERE NONE BESIDE US WROUGHT, CAUSES SHARP RUING... SOPHOCLES