%chk=000201196.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201196

0 1
O 1.299516 -0.873189 2.616151
O -7.030620 -1.429868 -0.804423
O -8.249230 0.156679 0.472951
O 4.320909 2.546551 -0.291865
O 5.454900 -2.269234 -0.712584
O 6.342043 0.530748 -1.070120
N -1.999080 0.143280 -0.488874
N 0.301998 -1.241147 0.596435
C -0.634308 0.355050 -1.077694
C -1.902077 -0.125642 0.984624
C 0.213448 -0.915021 -0.849059
C -1.039454 -1.379992 1.228838
C -2.867325 1.338475 -0.758761
C -4.301345 1.048719 -0.380546
C 1.382905 -0.842903 1.399709
C 2.664457 -0.489705 0.686014
C -4.898236 -0.157382 -0.836341
C -5.019635 1.976563 0.375160
C -6.214981 -0.349011 -0.492360
C -6.947657 0.604837 0.276395
C -6.376088 1.773746 0.722944
C 3.518432 -1.505871 0.265993
C 2.964762 0.855275 0.475043
C 4.189567 1.194799 -0.133604
C 4.744294 -1.162723 -0.341341
C 5.113270 0.191789 -0.508998
C -8.335101 -1.140460 -0.202608
C 5.398242 3.063764 -1.116305
C 6.610101 -2.114401 -1.578465
C 7.387254 0.682517 -0.064028
H -0.109332 1.242333 -0.663300
H -0.749966 0.523445 -2.170298
H -2.931379 -0.311019 1.366560
H -1.494155 0.733671 1.558838
H 1.224002 -0.790394 -1.292484
H -0.261981 -1.784735 -1.362438
H -0.918897 -1.556804 2.323600
H -1.529909 -2.279763 0.793770
H -2.503210 2.261148 -0.253978
H -2.832440 1.546546 -1.855622
H -4.323854 -0.883698 -1.409834
H -4.537924 2.891753 0.717046
H -6.926982 2.502303 1.309798
H 3.270092 -2.557245 0.407285
H 2.290348 1.649333 0.788805
H -8.531331 -1.905520 0.559833
H -9.067833 -1.049726 -1.014913
H 5.028765 4.065628 -1.365409
H 6.310832 3.108510 -0.516008
H 5.546487 2.449549 -2.011199
H 6.431918 -1.359412 -2.351797
H 7.476479 -1.851887 -0.965698
H 6.706326 -3.120203 -2.004954
H 8.259411 0.941524 -0.672097
H 7.126894 1.485376 0.631622
H 7.534082 -0.259658 0.471894


%chk=000201196-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201196

0 1
O 1.424522 0.490541 2.662561
O -6.710070 -2.282411 -0.173582
O -8.412967 -0.696401 0.414143
O 5.919573 2.162037 0.749166
O 4.877101 -2.234296 -1.292967
O 6.783030 -0.101823 -0.817260
N -2.144312 0.465369 -0.488924
N 0.353674 -0.288241 0.743301
C -0.859272 0.694679 -1.187408
C -1.969725 0.578833 0.982009
C 0.200732 -0.331165 -0.726690
C -0.925504 -0.439182 1.474572
C -3.241014 1.317649 -1.007619
C -4.623375 0.830922 -0.582448
C 1.488268 0.128789 1.441550
C 2.823077 0.096133 0.735804
C -4.907455 -0.567268 -0.597651
C -5.631330 1.758701 -0.225611
C -6.202219 -0.958815 -0.262870
C -7.205869 -0.026743 0.082646
C -6.950351 1.344648 0.115115
C 3.223681 -0.996034 -0.071014
C 3.733834 1.148909 0.989800
C 5.027154 1.110446 0.436823
C 4.531390 -1.058253 -0.603939
C 5.456364 -0.010085 -0.333842
C -8.166970 -2.123392 0.074609
C 6.411905 2.933040 -0.415746
C 5.512669 -2.083345 -2.620704
C 7.795637 -0.287067 0.255330
H -0.462678 1.727018 -1.004530
H -1.017432 0.580073 -2.276588
H -2.938749 0.374941 1.470637
H -1.646416 1.609229 1.274701
H 1.163452 -0.107899 -1.209708
H -0.126528 -1.344695 -1.033362
H -0.718317 -0.293167 2.546526
H -1.308674 -1.464250 1.304372
H -3.121445 2.388506 -0.704128
H -3.170074 1.294408 -2.114361
H -4.120575 -1.283296 -0.847885
H -5.393354 2.828464 -0.209755
H -7.724587 2.062732 0.396477
H 2.556682 -1.842794 -0.259624
H 3.448109 1.985100 1.633534
H -8.455680 -2.750422 0.932393
H -8.719924 -2.374020 -0.850536
H 7.108667 3.676166 0.000863
H 6.930932 2.275263 -1.135649
H 5.567649 3.447491 -0.912988
H 4.813279 -1.587860 -3.322077
H 6.448433 -1.506055 -2.546674
H 5.712065 -3.111853 -2.957873
H 8.767385 -0.313866 -0.260830
H 7.757129 0.554806 0.969023
H 7.615878 -1.242896 0.780193


