%chk=000277984.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277984

0 1
O 6.725329 1.953381 -1.397949
O 1.275450 -5.333938 1.054582
O -5.642469 -0.909848 -1.696066
O -5.905949 0.365970 0.186976
N 0.782574 1.100564 0.406744
N -3.389649 1.659356 0.760328
N -0.137968 3.090511 2.109204
N -3.779954 -0.117459 -0.783191
N -3.093147 3.482239 2.208982
C 1.436055 0.121285 -0.501369
C 2.870580 0.577422 -0.696390
C 1.368867 -1.312573 0.003494
C -0.582303 1.258120 0.519764
C 3.877500 0.201935 0.200091
C 0.941584 -1.647032 1.290590
C 3.185209 1.408288 -1.789418
C 1.757592 -2.336070 -0.886169
C -1.096442 2.272788 1.396139
C -1.494191 0.453025 -0.203556
C 5.195805 0.631562 0.020151
C 0.886344 -2.983372 1.705825
C 4.486116 1.847909 -1.992575
C 1.714430 -3.667806 -0.500343
C 5.485990 1.450081 -1.078007
C 1.271464 -3.979796 0.804178
C -2.498370 2.438396 1.464327
C -2.869983 0.695302 -0.050995
C -5.182951 -0.118841 -0.641922
C 7.838759 1.615915 -0.535190
C 0.811495 -5.783501 2.350498
C -7.091584 -1.074443 -1.805228
C -7.719393 0.190826 -2.349757
H 0.894171 0.154324 -1.492946
H 1.395530 1.691983 0.976928
H 3.635783 -0.440520 1.050044
H 0.636897 -0.867513 1.992057
H 2.400062 1.714344 -2.482942
H 2.103335 -2.078234 -1.888552
H -1.134908 -0.350059 -0.834475
H 5.963807 0.327721 0.722735
H 0.544301 -3.221319 2.706956
H 4.751494 2.488378 -2.830706
H 2.009957 -4.470618 -1.171628
H -0.239524 4.065834 1.829305
H -0.303979 3.039326 3.110888
H -3.384314 -0.710924 -1.522008
H -4.112747 3.460222 2.231135
H -2.698471 3.662546 3.120102
H 8.668819 2.140872 -1.026455
H 7.670376 2.005946 0.472577
H 8.004819 0.534903 -0.534085
H 0.910581 -6.873039 2.258163
H -0.233362 -5.496773 2.501026
H 1.459901 -5.396321 3.141335
H -7.142364 -1.927081 -2.507546
H -7.488248 -1.354417 -0.812955
H -7.644472 1.015014 -1.622183
H -7.219838 0.527804 -3.267138
H -8.781798 0.048604 -2.577181


%chk=000277984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277984

0 1
O 6.738063 2.189093 -1.316538
O 1.165409 -5.484295 0.963222
O -5.701160 -1.029237 -1.416965
O -6.042681 0.853234 -0.030920
N 0.761674 1.050314 0.524923
N -3.395124 1.796038 0.883305
N -0.077537 3.165706 2.102168
N -3.880288 -0.035666 -0.558156
N -2.974680 3.595576 2.298908
C 1.414167 0.126779 -0.417440
C 2.856711 0.607083 -0.644035
C 1.327978 -1.350191 0.004805
C -0.603485 1.257380 0.617859
C 3.954319 0.060909 0.057481
C 0.961002 -1.740263 1.309199
C 3.098880 1.674417 -1.550947
C 1.628605 -2.364947 -0.943250
C -1.056121 2.344300 1.435970
C -1.565710 0.452979 -0.054415
C 5.265956 0.555896 -0.129710
C 0.894447 -3.104643 1.679281
C 4.394850 2.177922 -1.753924
C 1.569796 -3.725227 -0.596777
C 5.485806 1.618293 -1.040128
C 1.200413 -4.100789 0.721043
C -2.459382 2.563083 1.530815
C -2.934974 0.777922 0.120181
C -5.267618 0.048608 -0.585851
C 7.900639 1.643687 -0.612291
C 0.768297 -5.923772 2.302277
C -7.167897 -1.102789 -1.639036
C -7.595085 -0.201352 -2.802404
H 0.888984 0.215032 -1.396348
H 1.325493 1.748791 1.022200
H 3.788561 -0.770333 0.751361
H 0.710710 -0.965589 2.041590
H 2.258265 2.113492 -2.102316
H 1.920336 -2.083506 -1.963016
H -1.263167 -0.407456 -0.657414
H 6.094106 0.107415 0.427090
H 0.596878 -3.370964 2.698037
H 4.590596 2.994403 -2.455538
H 1.798908 -4.512144 -1.321908
H 0.054440 4.122164 1.765421
H 0.045779 3.047241 3.110312
H -3.501400 -0.806005 -1.112466
H -3.985377 3.706320 2.323008
H -2.363439 4.212157 2.824681
H 8.758073 2.226861 -0.978895
H 7.804482 1.770818 0.483755
H 8.049511 0.572213 -0.849553
H 0.802057 -7.022598 2.266154
H -0.258688 -5.589834 2.548240
H 1.471905 -5.554169 3.073927
H -7.348790 -2.168702 -1.854711
H -7.682193 -0.813258 -0.705161
H -7.414366 0.858558 -2.555953
H -7.038986 -0.455244 -3.721736
H -8.675347 -0.330514 -3.003208


