%chk=000276839.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276839

0 1
O 7.662240 -0.804033 -0.710694
O -7.660700 -0.806392 0.713062
O 7.694554 -3.128030 -0.228689
O -7.692795 -3.130226 0.230265
O -2.340104 4.765201 0.140635
O 2.338683 4.766361 -0.144486
O -3.452508 3.000248 0.698206
O 3.452174 3.001659 -0.700645
N -2.431052 3.567702 0.351910
N 2.430362 3.568747 -0.354804
C 1.216065 1.347630 -0.174578
C -1.215519 1.347157 0.173549
C 0.000429 0.670590 -0.000206
C -1.201603 2.765780 0.177279
C 1.201381 2.766235 -0.179573
C 4.104550 -1.143903 0.286746
C -4.103522 -1.145142 -0.286594
C 6.404221 -1.218239 -0.296424
C -6.402835 -1.220178 0.297896
C -0.000302 3.463630 -0.001471
C 2.456307 0.587061 -0.358253
C -2.455423 0.586152 0.357877
C 6.424983 -2.617230 -0.005959
C -6.423467 -2.619074 0.006960
C 5.267445 -0.457554 -0.162150
C -5.266310 -0.459199 0.163204
C 2.845724 -0.401656 0.459888
C -2.844967 -0.402554 -0.460201
C 4.132900 -2.511787 0.579222
C -4.131752 -2.512927 -0.579530
C 5.304982 -3.287399 0.432065
C -5.303580 -3.288844 -0.431961
C 8.513763 -1.996724 -0.678812
C -8.511992 -1.999245 0.681226
H 0.000689 -0.423257 0.000249
H -0.000591 4.571022 -0.001977
H 3.072002 0.904756 -1.214682
H -3.070675 0.903602 1.214688
H 5.254554 0.611295 -0.374128
H -5.253531 0.609598 0.375477
H 2.241271 -0.706158 1.321324
H -2.240804 -0.706776 -1.321942
H 3.228638 -3.011693 0.926728
H -3.227586 -3.012519 -0.927738
H 5.315914 -4.350525 0.655635
H -5.314413 -4.351890 -0.655908
H 8.840778 -2.205602 -1.705931
H 9.299331 -1.831049 0.070289
H -9.298002 -1.833474 -0.067391
H -8.838408 -2.208549 1.708447


%chk=000276839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276839

0 1
O 7.425317 -1.325049 -0.955037
O -7.424138 -1.326968 0.955487
O 7.291051 -3.548817 -0.056966
O -7.289149 -3.551176 0.058612
O -2.303307 5.283291 -0.120555
O 2.302335 5.284158 0.117001
O -3.520915 3.542272 0.687792
O 3.520731 3.542709 -0.689218
N -2.415897 4.043739 0.230783
N 2.415310 4.044380 -0.233413
C 1.260447 1.739451 -0.111868
C -1.260287 1.739086 0.110691
C 0.000188 1.092561 -0.000399
C -1.216448 3.181599 0.123085
C 1.216123 3.181937 -0.125178
C 3.826389 -1.177227 0.158783
C -3.825231 -1.178609 -0.158329
C 6.131121 -1.571425 -0.439045
C -6.129854 -1.573211 0.439652
C -0.000286 3.873079 -0.001277
C 2.495899 0.951445 -0.184534
C -2.495473 0.950708 0.183774
C 6.058008 -2.884681 0.088971
C -6.056313 -2.886729 -0.087653
C 5.051178 -0.698959 -0.421922
C -5.050186 -0.700414 0.422089
C 2.617865 -0.354876 0.232889
C -2.616976 -0.355903 -0.232870
C 3.771360 -2.502907 0.686590
C -3.769766 -2.504559 -0.685409
C 4.883484 -3.379863 0.661701
C -4.881615 -3.381852 -0.660077
C 8.196653 -2.575001 -0.735720
C -8.195092 -2.577262 0.736771
H 0.000374 0.000154 -0.000087
H -0.000474 4.965318 -0.001653
H 3.367634 1.478149 -0.575139
H -3.367388 1.477331 0.574084
H 5.140605 0.308272 -0.835165
H -5.139937 0.307007 0.834798
H 1.756338 -0.853955 0.699609
H -1.755253 -0.854980 -0.699234
H 2.833190 -2.854274 1.130791
H -2.831473 -2.855870 -1.129393
H 4.830139 -4.391818 1.069430
H -4.827937 -4.394012 -1.067253
H 8.497825 -2.991789 -1.711568
H 9.051188 -2.362691 -0.071799
H -9.049633 -2.365556 0.072665
H -8.496223 -2.993617 1.712816


