%chk=000228595.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228595

0 1
O 3.141389 2.229428 0.370691
O 7.109889 -2.751706 -0.997884
O 1.371676 3.126308 1.443852
O -5.012697 0.122051 -0.161282
O -8.412340 -0.098486 -0.985863
O -7.273144 1.428141 0.055081
N 5.174995 -0.807350 -0.209185
N 1.300099 0.868488 0.639916
N -0.028112 0.666919 0.296317
N -7.381075 0.365467 -0.525943
C 3.508079 0.966140 -0.293516
C 4.675906 0.394904 0.526146
C 5.620246 -1.880273 0.740329
C 6.297966 -0.447004 -1.137380
C 2.228353 0.107216 -0.268218
C 6.055813 -3.105525 -0.080726
C 6.714024 -1.708700 -1.910979
C 1.847590 2.189023 0.863381
C -1.007830 1.035385 1.080366
C -0.944258 1.770093 2.375126
C -2.369551 0.697114 0.595094
C -2.678663 -0.474124 0.017676
C -4.008594 -0.814920 -0.437787
C -4.534136 -1.905884 -1.112087
C -5.931375 -1.665838 -1.280320
C -6.183929 -0.440198 -0.696851
H 3.810458 1.272848 -1.315221
H 4.320406 0.128936 1.546045
H 5.439632 1.189741 0.680273
H 6.453980 -1.555531 1.399948
H 4.764389 -2.151325 1.394458
H 5.938840 0.329371 -1.845034
H 7.179566 -0.026035 -0.606232
H 2.402556 -0.899337 0.171967
H 1.805680 -0.055759 -1.282011
H 6.535515 -3.877881 0.546161
H 5.213838 -3.538950 -0.648737
H 5.899307 -2.083171 -2.555401
H 7.632277 -1.550861 -2.503877
H -0.155126 1.367046 3.031223
H -1.883882 1.745410 2.940479
H -0.679717 2.835857 2.219992
H -3.119151 1.482605 0.756834
H -1.920726 -1.251915 -0.152959
H -4.001573 -2.775579 -1.453125
H -6.645192 -2.313339 -1.766038


%chk=000228595-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228595

0 1
O 3.151770 2.434537 -0.236247
O 7.067098 -2.921481 -0.244733
O 1.134753 3.313959 0.578043
O -4.976958 -0.335727 0.317102
O -8.435642 -1.276429 0.233251
O -7.097951 -0.620741 1.990999
N 5.086049 -0.811954 0.010752
N 1.353424 1.023529 -0.106132
N 0.020458 0.599635 -0.192965
N -7.302683 -0.885081 0.740834
C 3.627652 1.077280 -0.671995
C 4.488965 0.467940 0.453265
C 5.357787 -1.756037 1.129305
C 6.312735 -0.627679 -0.813451
C 2.325241 0.292212 -0.950335
C 5.850777 -3.099264 0.565840
C 6.795223 -1.986542 -1.347016
C 1.790158 2.349695 0.148350
C -0.805873 0.861183 0.824137
C -0.414096 1.432326 2.168951
C -2.207322 0.477823 0.620153
C -2.743347 0.115090 -0.595975
C -4.105980 -0.284016 -0.800458
C -4.821283 -0.662922 -1.952568
C -6.162559 -0.956678 -1.558707
C -6.216663 -0.746886 -0.181983
H 4.221017 1.243688 -1.584092
H 3.840346 0.276445 1.328988
H 5.251160 1.219536 0.764983
H 6.127439 -1.350527 1.831159
H 4.423632 -1.917238 1.699581
H 6.093485 0.039553 -1.667634
H 7.130179 -0.156882 -0.213319
H 2.422928 -0.759451 -0.640842
H 2.011153 0.332423 -2.009941
H 6.134301 -3.790208 1.376461
H 5.050591 -3.558062 -0.054427
H 6.025268 -2.415792 -2.024183
H 7.749623 -1.883324 -1.888801
H 0.619757 1.142060 2.431393
H -1.101841 1.069460 2.951289
H -0.437713 2.536225 2.155599
H -2.856822 0.504303 1.502946
H -2.101069 0.125937 -1.483338
H -4.410433 -0.714614 -2.958796
H -6.993338 -1.278505 -2.180744


