%chk=000232675.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232675

0 1
O -2.686013 1.472882 0.000199
O 2.685893 1.473100 -0.001325
O -4.934635 -1.855885 -0.000287
O 4.934774 -1.855513 -0.000029
O -3.271064 -3.430256 -0.000819
O 3.271323 -3.430009 0.001618
N -2.829091 -1.103172 -0.000283
N 2.829175 -1.102959 -0.000269
C -0.716628 0.146712 -0.000316
C 0.716614 0.146768 -0.000396
C -0.701084 2.713007 -0.000059
C 0.700863 2.713063 -0.000285
C -1.460264 1.431585 -0.000295
C 1.460147 1.431702 -0.000747
C -1.413686 -1.074769 -0.000183
C 1.413767 -1.074661 -0.000173
C -0.681669 -2.307950 0.000044
C 0.681843 -2.307898 0.000098
C -1.400976 3.925902 0.000380
C 1.400658 3.926015 -0.000046
C -0.698670 5.137037 0.000597
C 0.698255 5.137093 0.000403
C -3.613664 -2.267767 -0.000588
C 3.613836 -2.267495 0.000604
C -5.913920 -2.933915 -0.000609
C 5.914143 -2.933466 0.000781
H -1.229597 -3.265515 0.000162
H 1.229845 -3.265421 0.000361
H -2.495845 3.913032 0.000548
H 2.495527 3.913233 -0.000224
H -3.341950 -0.180247 -0.000106
H 3.341966 -0.179996 -0.001075
H -1.246377 6.080332 0.000910
H 1.245886 6.080432 0.000603
H -6.859006 -2.378269 -0.000092
H -5.792756 -3.542548 0.901245
H -5.793183 -3.541579 -0.903172
H 6.859185 -2.377748 0.000220
H 5.793142 -3.542381 -0.900904
H 5.793334 -3.540872 0.903510


%chk=000232675-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232675

0 1
O -2.760091 1.420965 -0.000257
O 2.759974 1.421161 0.001453
O -5.000251 -1.754311 -0.001013
O 5.000374 -1.753913 0.000052
O -3.389793 -3.460863 0.000254
O 3.390058 -3.460597 0.001040
N -2.832879 -1.140446 -0.000791
N 2.832951 -1.140226 0.000313
C -0.722906 0.100137 -0.000260
C 0.722884 0.100190 -0.000012
C -0.710900 2.654512 -0.000223
C 0.710695 2.654564 0.000036
C -1.467678 1.378393 -0.000298
C 1.467564 1.378499 -0.000060
C -1.433449 -1.149598 -0.000272
C 1.433521 -1.149490 0.000296
C -0.695232 -2.374891 0.000173
C 0.695397 -2.374839 0.000456
C -1.415902 3.884617 -0.000176
C 1.415607 3.884720 0.000377
C -0.709955 5.102380 0.000115
C 0.709571 5.102431 0.000392
C -3.685578 -2.238804 -0.000715
C 3.685741 -2.238514 0.000698
C -6.048504 -2.796852 -0.000499
C 6.048713 -2.796368 0.000024
H -1.247627 -3.317057 0.000195
H 1.247863 -3.316963 0.000675
H -2.509392 3.853724 -0.000338
H 2.509099 3.853906 0.000574
H -3.249678 -0.177396 -0.001556
H 3.249671 -0.177142 -0.000303
H -1.256158 6.051461 0.000157
H 1.255706 6.051552 0.000622
H -6.994310 -2.237681 -0.000679
H -5.961378 -3.429498 0.898655
H -5.961484 -3.430248 -0.899135
H 6.994473 -2.237119 -0.000446
H 5.961405 -3.429662 -0.898657
H 5.961978 -3.429131 0.899134


