%chk=000193961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193961

0 1
O -3.380287 0.676578 1.204997
O -0.667573 4.126881 -0.358247
O -3.634150 1.112387 -0.998299
O 3.946282 -1.895589 -2.645641
N 1.642367 1.335599 -0.174496
N 1.680301 -1.030402 0.725045
N 2.908945 0.973416 -2.050409
N -4.419585 -1.586693 -1.506410
N 2.913690 -2.563833 -0.710487
N 1.707068 -3.384381 1.177855
C -0.720344 1.883837 0.435405
C 0.780008 2.024763 0.795360
C -1.559505 2.225618 1.679150
C -1.060918 2.794710 -0.755590
C -3.062696 2.077556 1.474662
C 1.970567 -0.019998 -0.201821
C -2.720083 -1.999030 0.318876
C -3.964288 -1.190394 -0.160264
C 2.240348 1.899248 -1.350014
C 2.759332 -0.230022 -1.363673
C -3.646168 0.311037 -0.090706
C -3.034517 -3.494546 0.325002
C -1.480933 -1.692917 -0.524897
C 3.283120 -1.565646 -1.701016
C 2.165151 -2.331589 0.336475
H -0.941526 0.821075 0.126071
H 0.987498 1.638212 1.817362
H 1.050303 3.114111 0.807593
H -1.352131 3.279746 1.975506
H -1.243672 1.589321 2.529828
H -2.143901 2.774920 -0.992161
H -0.485402 2.520704 -1.659087
H -3.450713 2.710494 0.653826
H -3.629951 2.268370 2.404481
H -2.518982 -1.671842 1.373483
H -4.812739 -1.389682 0.555312
H 2.145730 2.949185 -1.587030
H 0.943920 -0.909105 1.413304
H -3.883154 -3.729488 0.976884
H -3.300381 -3.856375 -0.678746
H -2.175678 -4.082556 0.667083
H -1.642364 -1.896677 -1.591077
H -1.164680 -0.641837 -0.429950
H -0.637069 -2.329451 -0.225250
H -1.041684 4.782871 -0.977177
H -5.124070 -0.943458 -1.862455
H -3.650454 -1.593753 -2.172778
H 2.055792 -4.303762 0.888588
H 1.853875 -3.244712 2.172933


%chk=000193961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193961

0 1
O -3.425920 0.766108 1.190934
O -0.412846 4.093244 -0.574430
O -3.774140 0.856365 -1.120826
O 4.457933 -1.508190 -2.313796
N 1.777755 1.436388 0.166280
N 1.448461 -1.020336 0.535989
N 3.458461 1.305986 -1.388486
N -4.783112 -1.857998 -1.002955
N 2.952370 -2.419081 -0.751820
N 1.395527 -3.383949 0.712930
C -0.683336 1.939637 0.487499
C 0.761904 2.024302 1.052875
C -1.667799 2.482599 1.555050
C -0.782098 2.690578 -0.852441
C -3.148212 2.239071 1.241231
C 2.034379 0.091624 -0.057798
C -2.543611 -2.044119 0.130957
C -3.942747 -1.321820 0.071269
C 2.675957 2.130924 -0.681979
C 3.069842 0.005866 -1.005557
C -3.723527 0.199350 -0.053442
C -2.738550 -3.507160 0.585071
C -1.803305 -1.977881 -1.224747
C 3.572353 -1.311875 -1.441554
C 1.982986 -2.268469 0.130628
H -0.931108 0.877696 0.280267
H 0.813743 1.528070 2.041953
H 1.021886 3.086824 1.192955
H -1.519011 3.575420 1.653261
H -1.436499 2.027046 2.538245
H -1.809986 2.617995 -1.257495
H -0.080951 2.241634 -1.585392
H -3.457429 2.685387 0.280849
H -3.790498 2.616548 2.053624
H -1.949908 -1.504635 0.902874
H -4.440711 -1.502936 1.041284
H 2.685437 3.217793 -0.719750
H 0.588842 -0.959126 1.084877
H -3.138149 -3.564940 1.615422
H -3.453062 -4.008661 -0.090971
H -1.779645 -4.057235 0.549054
H -2.368094 -2.535867 -1.993358
H -1.670693 -0.940560 -1.585169
H -0.805865 -2.445934 -1.145614
H -0.442947 4.616868 -1.412102
H -5.788613 -1.792075 -0.823344
H -4.539459 -1.490627 -1.928871
H 1.775793 -4.281108 0.417984
H 0.842900 -3.335841 1.565932


