%chk=000192616.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192616

0 1
O 4.126025 0.160364 -1.260909
O 4.591107 2.720647 0.597303
O 5.949316 0.826034 1.581472
O 3.470380 -2.380573 -0.610668
N 1.894037 0.749163 -0.772936
N 0.019915 -0.511329 -1.187658
N 5.249661 -2.655014 0.794368
N 0.780555 2.773826 0.211916
N -2.794637 0.617657 -0.529870
N -1.660882 2.556896 0.271907
N -5.832464 -3.065461 1.719056
C 3.764010 1.559801 0.679613
C 3.297100 1.215878 -0.764601
C 4.697900 0.390365 1.094194
C 4.897179 -0.445649 -0.198812
C 4.440838 -1.905532 -0.050232
C 0.799515 1.522422 -0.360335
C 1.350718 -0.489771 -1.268751
C -0.360914 0.724663 -0.629047
C -1.631517 1.292435 -0.296843
C 4.970736 -4.085776 1.032965
C -0.479659 3.210614 0.490523
C -4.121079 1.182726 -0.178293
C -5.158400 0.086247 -0.127952
C -4.979331 -0.999186 0.734499
C -6.298568 0.173787 -0.937175
C -5.961854 -2.010168 0.789920
C -7.269459 -0.832484 -0.873141
C -7.113522 -1.925841 -0.025523
H 2.928291 1.726303 1.391581
H 3.435003 2.057519 -1.490465
H 4.276105 -0.208117 1.933717
H 5.947929 -0.389391 -0.572071
H 4.076190 3.519713 0.864215
H 6.205870 1.702764 1.175008
H 2.014956 -1.282415 -1.626003
H 6.058829 -2.264727 1.266103
H 5.811326 -4.710439 0.687424
H 4.063093 -4.403497 0.479081
H 4.796586 -4.275165 2.105062
H -2.761403 -0.309966 -0.955761
H -0.566773 4.210979 0.947987
H -4.386770 1.976524 -0.917993
H -4.064796 1.706972 0.811240
H -4.099599 -1.052461 1.371083
H -6.434878 1.014566 -1.611533
H -8.159177 -0.760454 -1.500090
H -7.876298 -2.697368 0.018784
H -6.362080 -3.904060 1.534671
H -4.903905 -3.260122 2.063270


%chk=000192616-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192616

0 1
O 4.188113 0.423521 -1.055188
O 4.572955 2.309463 1.382324
O 4.989396 -0.053918 2.478058
O 3.956054 -2.370291 -1.239033
N 1.844619 0.840335 -0.736342
N 0.097673 -0.393822 -1.556975
N 5.430992 -2.674528 0.552071
N 0.584465 2.748938 0.243708
N -2.800105 0.631297 -1.216558
N -1.841547 2.498287 -0.088003
N -5.243171 -2.396543 2.293401
C 3.491055 1.374384 1.056739
C 3.216026 1.331597 -0.468273
C 4.081645 -0.031996 1.345743
C 4.802528 -0.395959 0.004037
C 4.685309 -1.900754 -0.316620
C 0.684707 1.556649 -0.423467
C 1.437734 -0.323156 -1.424812
C -0.381570 0.776944 -0.938574
C -1.699465 1.298108 -0.752872
C 5.436549 -4.141955 0.493762
C -0.722572 3.138800 0.363839
C -4.181124 1.122872 -1.093101
C -5.133526 0.085873 -0.504628
C -4.742963 -0.690388 0.608915
C -6.428459 -0.075351 -1.056849
C -5.636001 -1.632692 1.191967
C -7.321091 -1.006870 -0.478139
C -6.939658 -1.782522 0.633237
H 2.576881 1.604025 1.629336
H 3.334083 2.323899 -0.937951
H 3.276921 -0.750103 1.570703
H 5.867825 -0.105901 0.083354
H 4.218706 3.228482 1.457964
H 5.396831 0.857325 2.518934
H 2.166464 -1.058377 -1.767857
H 5.915561 -2.202733 1.322214
H 6.459627 -4.528890 0.336482
H 4.804324 -4.445084 -0.355821
H 5.024860 -4.580858 1.421038
H -2.630040 -0.255238 -1.698139
H -0.897104 4.084052 0.887172
H -4.557300 1.446465 -2.084235
H -4.125902 2.023138 -0.454161
H -3.736349 -0.563371 1.027404
H -6.733124 0.517326 -1.927113
H -8.323641 -1.135536 -0.902391
H -7.639622 -2.505989 1.069425
H -5.877701 -3.068734 2.713499
H -4.314661 -2.296322 2.692076


