%chk=000213311.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213311

0 1
O -0.682392 -3.372225 0.307032
O -6.141163 -0.259664 0.240826
N 2.773192 -1.030385 -0.211219
N 5.453847 0.053327 0.001309
C 3.946099 -1.736453 -0.823717
C 3.220786 -0.299503 1.019203
C 5.018251 -0.699908 -1.216038
C 4.287769 0.744954 0.634305
C 1.668109 -1.993663 0.099479
C 6.683126 0.767384 -0.070731
C 0.333568 -1.230107 0.061878
C -0.843707 -2.171638 0.193014
C 7.691731 0.372694 -0.981899
C 6.968232 1.803487 0.850297
C -2.207331 -1.578861 0.187434
C 8.939108 0.992566 -0.958405
C 8.222487 2.410062 0.856757
C 9.214985 2.015272 -0.045500
C -3.295302 -2.447931 0.435525
C -2.456703 -0.222459 -0.056524
C -8.035902 1.099303 0.123402
C -8.638189 2.489872 -0.101341
C -6.515301 1.136927 -0.002962
C -4.819501 -0.600293 0.201459
C -10.168204 2.458327 0.024632
C -4.596827 -1.974677 0.447823
C -3.758128 0.282822 -0.052575
C -10.779067 3.839500 -0.197633
H 4.391746 -2.500800 -0.149660
H 3.598909 -2.261774 -1.739812
H 2.343004 0.221005 1.457387
H 3.626743 -0.978669 1.801557
H 5.893029 -1.230553 -1.656305
H 4.615722 -0.014569 -1.995484
H 3.846613 1.505013 -0.048776
H 4.626008 1.276164 1.552908
H 1.784801 -2.509998 1.076727
H 1.641385 -2.801824 -0.666916
H 0.302743 -0.466119 0.863575
H 0.268649 -0.660979 -0.891278
H 7.504820 -0.427474 -1.694943
H 6.216213 2.121324 1.569162
H 9.707854 0.675290 -1.662894
H 8.429598 3.203455 1.574719
H 10.188302 2.495086 -0.036026
H -3.088146 -3.509263 0.617943
H -1.631638 0.463680 -0.258042
H -8.451342 0.369022 -0.601274
H -8.316603 0.705814 1.122067
H -8.219399 3.210020 0.628490
H -8.354926 2.871599 -1.101724
H -6.034658 1.766152 0.764152
H -6.173831 1.418831 -1.012646
H -10.592074 1.740050 -0.704876
H -10.456702 2.078202 1.024635
H -5.445351 -2.628306 0.638496
H -3.929056 1.335688 -0.245105
H -10.411863 4.568329 0.533955
H -10.547122 4.230212 -1.195048
H -11.871102 3.807560 -0.105994


%chk=000213311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213311

0 1
O -0.632224 -3.535725 0.070316
O -6.248483 -0.428264 0.213331
N 2.828681 -1.092326 -0.338860
N 5.446355 0.144071 -0.077172
C 4.059896 -1.815240 -0.743561
C 3.145081 -0.196106 0.798234
C 5.150235 -0.818239 -1.164413
C 4.236987 0.823805 0.423238
C 1.708710 -2.025462 -0.052650
C 6.692015 0.821324 -0.052968
C 0.348979 -1.305938 -0.031117
C -0.831459 -2.281429 0.048242
C 7.897493 0.150904 -0.430430
C 6.802889 2.177322 0.384728
C -2.220166 -1.728364 0.093732
C 9.142834 0.804627 -0.367184
C 8.058819 2.817972 0.452977
C 9.242084 2.144874 0.077498
C -3.313877 -2.637498 0.202708
C -2.502785 -0.338812 0.026100
C -8.132187 1.086723 0.166600
C -8.643979 2.541229 0.047228
C -6.605938 1.004647 0.119334
C -4.900508 -0.782170 0.170602
C -10.186570 2.631692 0.092215
C -4.634778 -2.177216 0.242746
C -3.827392 0.141532 0.061983
C -10.706225 4.079327 -0.040153
H 4.451411 -2.457598 0.086301
H 3.819874 -2.470694 -1.601054
H 2.237315 0.361575 1.091236
H 3.490090 -0.783202 1.688560
H 6.060363 -1.374872 -1.434403
H 4.801884 -0.273246 -2.071719
H 3.828332 1.533995 -0.333581
H 4.493882 1.396326 1.331205
H 1.856790 -2.580093 0.906239
H 1.684669 -2.789711 -0.849548
H 0.279732 -0.600239 0.820503
H 0.260411 -0.690352 -0.948948
H 7.869875 -0.896618 -0.746571
H 5.909644 2.749000 0.652653
H 10.046708 0.255783 -0.657239
H 8.105645 3.860039 0.791270
H 10.213465 2.647556 0.127329
H -3.087464 -3.707557 0.252301
H -1.685896 0.385452 -0.060947
H -8.547443 0.472465 -0.655182
H -8.486562 0.637809 1.114209
H -8.219892 3.158275 0.866967
H -8.282165 2.989206 -0.901907
H -6.147902 1.555098 0.967211
H -6.212168 1.419687 -0.831674
H -10.610474 2.008791 -0.721284
H -10.549147 2.191111 1.042850
H -5.480945 -2.865758 0.326299
H -4.013646 1.217583 0.004778
H -10.321342 4.716679 0.778278
H -10.383324 4.530855 -0.997241
H -11.810310 4.116296 -0.005399


