%chk=000201679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201679

0 1
O 0.226109 -0.212820 2.342840
O 1.040911 1.846212 2.505930
N -3.403814 -0.090023 0.256933
C 0.263904 1.031146 0.276857
C 0.913908 2.316540 -0.362587
C -1.276661 1.118184 0.137698
C -2.067286 0.053869 0.922164
C 0.880712 -0.213964 -0.366361
C 0.700156 2.342966 -1.890846
C -4.509727 -0.211954 1.262425
C -3.407214 -1.255045 -0.688095
C -5.866168 -0.251336 0.537139
C -4.741654 -1.301759 -1.449341
C 0.569753 0.998766 1.781280
C 0.398959 3.609129 0.275769
C -5.922158 -1.402887 -0.474639
C 2.264379 -0.571489 -0.138684
C 0.116685 -1.010806 -1.190934
C 1.666348 3.300224 -2.585640
C 2.763025 -1.777928 -0.703083
C 0.632321 -2.199787 -1.777626
C 3.180808 0.227282 0.619856
C 1.921042 -2.588151 -1.529055
C 4.115008 -2.181731 -0.456273
C 4.474367 -0.174601 0.839879
C 4.950145 -1.404534 0.304005
H 2.017048 2.257889 -0.162879
H -1.621015 2.125682 0.457499
H -1.547675 1.072427 -0.938872
H -1.496802 -0.900746 0.979777
H -2.182168 0.383964 1.976399
H 0.834860 1.328361 -2.316921
H -0.343340 2.632132 -2.122095
H -4.402880 -1.105759 1.913601
H -4.469327 0.682504 1.921275
H -3.230383 -2.225118 -0.174857
H -2.563674 -1.110515 -1.405434
H -6.680726 -0.345477 1.277278
H -6.026984 0.711708 0.011893
H -4.846133 -0.386161 -2.065322
H -4.742924 -2.155079 -2.150532
H 0.670140 3.669510 1.340741
H -0.691222 3.704661 0.206460
H 0.834604 4.487015 -0.215584
H -6.877948 -1.376157 -1.029369
H -5.898669 -2.375088 0.052656
H -0.928482 -0.760512 -1.417817
H 1.555165 4.327629 -2.219318
H 1.492032 3.317255 -3.667508
H 2.710573 3.006018 -2.427132
H -0.020940 -2.792045 -2.416663
H 2.855336 1.195499 1.012624
H 2.326129 -3.504929 -1.953907
H 0.452717 -0.256696 3.310801
H 4.463714 -3.119436 -0.887102
H 5.156102 0.443424 1.423141
H 5.977212 -1.705761 0.501754


%chk=000201679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201679

0 1
O 0.371303 -0.185818 2.427089
O 0.812347 2.074005 2.459794
N -3.514963 -0.100987 0.364899
C 0.296764 0.957031 0.265952
C 0.893384 2.258705 -0.453824
C -1.269870 0.952382 0.081428
C -2.095498 -0.136204 0.811147
C 0.990478 -0.315848 -0.297795
C 0.983348 2.078775 -1.997319
C -4.445670 -0.616653 1.403534
C -3.726674 -0.796543 -0.930003
C -5.915649 -0.424100 0.978225
C -5.173436 -0.615119 -1.434253
C 0.536409 1.051688 1.788816
C 0.144760 3.571287 -0.103275
C -6.185983 -1.113567 -0.378273
C 2.386969 -0.614464 -0.017943
C 0.296438 -1.165843 -1.169062
C 1.677166 3.260152 -2.711724
C 2.997274 -1.784329 -0.630650
C 0.900039 -2.309098 -1.772437
C 3.225219 0.184999 0.835932
C 2.229765 -2.619535 -1.505400
C 4.371606 -2.099340 -0.364477
C 4.561094 -0.144295 1.075574
C 5.147341 -1.298928 0.472690
H 1.932385 2.366095 -0.083166
H -1.657151 1.925747 0.424667
H -1.478820 0.915506 -1.003550
H -1.641881 -1.146507 0.684043
H -2.082141 0.068974 1.895879
H 1.539661 1.153575 -2.231509
H -0.035622 1.947549 -2.416956
H -4.265091 -1.706695 1.606138
H -4.249162 -0.070353 2.345043
H -3.506231 -1.894615 -0.832661
H -3.022073 -0.387245 -1.678007
H -6.582366 -0.829311 1.763828
H -6.119520 0.660554 0.889299
H -5.347166 0.459650 -1.635441
H -5.302057 -1.162048 -2.388383
H -0.054326 3.649651 0.976752
H -0.808893 3.657364 -0.656069
H 0.767248 4.438891 -0.384814
H -7.222956 -0.921465 -0.712987
H -6.081703 -2.212256 -0.258977
H -0.745568 -0.956231 -1.419415
H 1.092683 4.194021 -2.637292
H 1.813917 3.036378 -3.785745
H 2.677889 3.450488 -2.278598
H 0.304976 -2.936714 -2.444723
H 2.828111 1.079111 1.322175
H 2.707090 -3.496359 -1.958632
H 0.539209 -0.063836 3.401883
H 4.802710 -2.989307 -0.838818
H 5.165157 0.490630 1.733125
H 6.195930 -1.547894 0.668467


