%chk=000268467.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268467

0 1
O 2.055809 0.439179 -0.091326
O 3.111229 2.369772 0.705677
N 0.857196 1.158451 -0.041663
N 4.298226 0.722303 -0.454906
C -2.533146 -0.058059 0.005620
C -1.812469 -1.344108 0.018551
C -1.568209 1.002000 -0.009958
C -0.405037 -1.071104 0.010209
C -0.197237 0.404306 -0.013303
C -3.886462 0.229201 0.009820
C -2.273610 -2.648309 0.040159
C -1.962349 2.326920 -0.018205
C 0.518156 -2.099555 0.028915
C -4.284745 1.582299 -0.000392
C -1.326455 -3.693324 0.056055
C -3.344440 2.608877 -0.013466
C 0.039939 -3.426270 0.051903
C 3.170146 1.310098 0.141509
C 5.611276 1.129781 0.107490
C 4.225191 -0.677863 -0.934706
H -4.631082 -0.562813 0.021447
H -3.337899 -2.870520 0.046119
H -1.226038 3.132217 -0.026291
H 1.587380 -1.890756 0.030226
H -5.348127 1.820579 0.002933
H -1.677756 -4.724914 0.073212
H -3.672070 3.648066 -0.019522
H 0.754397 -4.247853 0.067627
H 6.369324 1.089103 -0.693271
H 5.939319 0.493919 0.944523
H 5.560428 2.177076 0.466199
H 5.062332 -0.870143 -1.627347
H 3.284762 -0.825049 -1.501649
H 4.262922 -1.419309 -0.121088


%chk=000268467-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268467

0 1
O 2.055268 0.420247 -0.033611
O 3.156274 2.453244 0.576131
N 0.814222 1.197529 0.016437
N 4.344726 0.592319 -0.234416
C -2.563288 -0.051017 -0.004902
C -1.838985 -1.341693 -0.004908
C -1.598354 1.002450 0.011366
C -0.426938 -1.079986 0.009220
C -0.236771 0.395349 0.014020
C -3.938817 0.249671 -0.013916
C -2.318299 -2.664159 -0.009642
C -1.987537 2.353046 0.019912
C 0.499146 -2.142376 0.026747
C -4.336460 1.610348 -0.005540
C -1.383479 -3.730074 0.003365
C -3.372982 2.650497 0.011817
C 0.008705 -3.472463 0.024226
C 3.211670 1.288481 0.135561
C 5.655223 1.218677 0.008646
C 4.342871 -0.772813 -0.785075
H -4.692703 -0.545103 -0.026444
H -3.393275 -2.874102 -0.020802
H -1.234949 3.146813 0.034907
H 1.571618 -1.941739 0.051958
H -5.402630 1.863024 -0.011834
H -1.741511 -4.765672 0.000236
H -3.704555 3.694426 0.019786
H 0.713810 -4.310736 0.040039
H 6.208333 1.339053 -0.942060
H 6.261672 0.597981 0.695951
H 5.497221 2.209449 0.459681
H 5.141025 -0.855724 -1.545063
H 3.377742 -0.991177 -1.263083
H 4.532910 -1.529570 0.002394


