%chk=000253753.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253753

0 1
O 5.606213 0.356916 0.233667
O -4.897002 -2.129442 -0.568451
O -6.336304 0.040367 -1.079957
O -5.473840 2.411371 -0.238708
O 6.533421 -0.652423 -1.563059
N -5.139215 0.142294 -0.362739
C -0.025003 -0.550131 -0.099540
C -0.915572 0.629372 0.365943
C 1.426018 -0.414143 0.480234
C -2.376122 0.455561 -0.123022
C -2.972305 -0.904244 0.330440
C -0.648156 -1.911587 0.257679
C -2.090148 -2.037592 -0.234208
C -0.330540 1.947500 -0.183853
C 1.951872 0.999358 0.247136
C 2.323673 -1.441605 -0.262914
C -3.273000 1.612312 0.340837
C 1.154216 2.038134 -0.033217
C 1.452213 -0.672978 1.998014
C 3.431461 1.213008 0.423343
C 3.814547 -1.273495 0.032092
C -3.135807 -1.028544 1.849377
C -4.390394 -1.079069 -0.265309
C 4.250128 0.150048 -0.310878
C -4.705793 1.488349 -0.121861
C 6.678305 -0.094021 -0.501099
C 7.938470 0.225928 0.225091
H 0.055248 -0.489921 -1.214431
H -0.906487 0.667765 1.481111
H -2.361508 0.457637 -1.245184
H -0.612163 -2.074841 1.353924
H -0.041065 -2.727331 -0.183649
H -2.121345 -2.026517 -1.342174
H -2.510390 -3.022932 0.055074
H -0.804288 2.810722 0.327500
H -0.580707 2.060339 -1.261570
H 2.156378 -1.351041 -1.355294
H 2.012503 -2.469383 0.006170
H -2.880431 2.586052 -0.030846
H -3.259798 1.707421 1.448421
H 1.556704 3.040145 -0.184629
H 0.841678 0.060719 2.535856
H 1.075544 -1.670604 2.247439
H 2.471587 -0.603568 2.395364
H 3.744059 2.221236 0.083727
H 3.681150 1.188646 1.508085
H 4.034986 -1.493252 1.094803
H 4.408978 -2.001490 -0.556861
H -3.828142 -0.285813 2.260281
H -3.516008 -2.020585 2.129732
H -2.172902 -0.898782 2.360576
H 4.292720 0.323364 -1.407560
H -7.066709 -0.068666 -0.379479
H 7.962431 -0.245803 1.219765
H 8.045097 1.309673 0.389686
H 8.816841 -0.121931 -0.340375


%chk=000253753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253753

0 1
O 5.724905 0.405146 0.177151
O -4.887402 -2.217509 -0.739224
O -6.461040 -0.032507 -1.076297
O -5.567571 2.345146 -0.458323
O 6.411610 -0.552709 -1.840063
N -5.125849 0.098275 -0.556578
C -0.019311 -0.593361 0.071065
C -0.941522 0.605466 0.448884
C 1.435043 -0.450079 0.663669
C -2.380773 0.416489 -0.114738
C -3.030901 -0.943681 0.300774
C -0.681367 -1.953072 0.419939
C -2.099112 -2.093093 -0.169619
C -0.337180 1.930296 -0.084479
C 1.971190 0.973373 0.413773
C 2.370252 -1.468597 -0.079875
C -3.307042 1.604473 0.230716
C 1.164170 2.010247 0.065855
C 1.464017 -0.737437 2.197276
C 3.469993 1.197608 0.593891
C 3.879528 -1.269899 0.194703
C -3.316176 -1.048837 1.832245
C -4.400326 -1.118402 -0.392998
C 4.289626 0.158917 -0.185899
C -4.722723 1.413373 -0.266702
C 6.691307 -0.005713 -0.748619
C 8.079416 0.310845 -0.234000
H 0.092529 -0.557943 -1.037366
H -0.998939 0.672917 1.555830
H -2.280795 0.385823 -1.223579
H -0.725128 -2.085018 1.517367
H -0.060484 -2.782266 0.033243
H -2.046065 -2.078895 -1.276730
H -2.543663 -3.065088 0.108118
H -0.791923 2.797908 0.434781
H -0.604158 2.051644 -1.158783
H 2.195417 -1.374207 -1.171632
H 2.089532 -2.501110 0.200770
H -2.948378 2.546252 -0.217687
H -3.341314 1.773750 1.325500
H 1.617844 2.995297 -0.118979
H 0.700178 -0.142536 2.729892
H 1.283528 -1.806503 2.409795
H 2.442281 -0.476042 2.636262
H 3.743626 2.217347 0.269176
H 3.755081 1.114071 1.662550
H 4.112086 -1.439463 1.263516
H 4.464205 -1.999075 -0.394558
H -4.035226 -0.284857 2.178063
H -3.747232 -2.039497 2.060632
H -2.391529 -0.934917 2.421702
H 4.188180 0.299912 -1.279113
H -6.760871 0.937005 -1.072574
H 8.274709 -0.250197 0.696698
H 8.161697 1.384368 0.007603
H 8.827347 0.039062 -0.992522


