%chk=000230510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230510

0 1
O 0.249649 0.050656 1.906450
O -5.578353 0.910755 -0.390587
N 0.400913 1.745722 -1.121751
C -0.051501 -0.050480 0.490284
C 0.920450 0.914835 -0.221689
C -1.531378 0.233254 0.284189
C 0.240447 -1.502024 0.128907
C 2.332008 0.902823 0.095837
C 3.167458 1.826297 -0.590479
C -2.077051 0.311979 -1.012706
C -2.376400 0.359357 1.392198
C 0.583932 -1.853795 -1.183447
C 0.129461 -2.493429 1.113919
C 2.926303 0.017013 1.047427
C 2.580948 2.713123 -1.546153
C 4.571123 1.849198 -0.315355
C 1.227546 2.642368 -1.779838
C -3.434611 0.540164 -1.198289
C -3.746707 0.591441 1.235221
C -4.259546 0.684084 -0.063318
C 0.818344 -3.193730 -1.504937
C 0.368101 -3.830765 0.787334
C 4.276367 0.056120 1.292862
C 5.109608 0.983496 0.603379
C 0.711992 -4.182789 -0.521847
C -6.526765 1.069755 0.691366
H -1.429417 0.197383 -1.884714
H -1.967794 0.263899 2.401177
H 0.670080 -1.089436 -1.955211
H -0.141053 -2.210173 2.133443
H 0.188799 0.985867 2.199770
H 2.280625 -0.689693 1.582572
H 3.211203 3.426024 -2.072826
H 5.196636 2.562808 -0.848739
H 0.713675 3.289626 -2.498635
H -3.870984 0.611782 -2.191266
H -4.381131 0.689643 2.107849
H 1.084479 -3.466357 -2.524682
H 0.282550 -4.599066 1.553615
H 4.729752 -0.620181 2.016178
H 6.177756 0.990693 0.819662
H 0.895141 -5.225006 -0.775718
H -6.576287 0.156079 1.290424
H -7.464952 1.233502 0.145431
H -6.268717 1.942582 1.297693


%chk=000230510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230510

0 1
O 0.262097 0.117795 2.033369
O -5.654021 0.823677 -0.491997
N 0.390146 1.902215 -0.954145
C -0.016863 -0.007494 0.575582
C 0.947212 0.974295 -0.152361
C -1.516617 0.267416 0.308451
C 0.268382 -1.483349 0.222173
C 2.384522 0.907556 0.074785
C 3.215927 1.878237 -0.611797
C -2.044251 0.285303 -1.011174
C -2.416658 0.414331 1.385591
C 0.698728 -1.852900 -1.074399
C 0.019162 -2.494473 1.182387
C 3.024501 -0.054025 0.927639
C 2.581851 2.847889 -1.455165
C 4.637726 1.852191 -0.432371
C 1.196982 2.824905 -1.592304
C -3.415592 0.469728 -1.241246
C -3.803478 0.606394 1.173261
C -4.303304 0.639466 -0.148268
C 0.881666 -3.213569 -1.407123
C 0.207697 -3.853807 0.851506
C 4.412853 -0.057320 1.081099
C 5.228143 0.899248 0.398127
C 0.637501 -4.220337 -0.445634
C -6.607573 0.995961 0.604531
H -1.376695 0.161490 -1.867538
H -2.042791 0.351812 2.412309
H 0.903696 -1.081035 -1.825051
H -0.311615 -2.205053 2.183980
H 0.120576 1.066496 2.285338
H 2.412375 -0.777565 1.467447
H 3.184239 3.595653 -1.982640
H 5.250786 2.593449 -0.958511
H 0.671046 3.548722 -2.223744
H -3.823997 0.488406 -2.256170
H -4.467803 0.717763 2.035579
H 1.218108 -3.485876 -2.413933
H 0.015764 -4.627283 1.604059
H 4.884650 -0.799296 1.734444
H 6.315412 0.880905 0.532343
H 0.780650 -5.275885 -0.702958
H -6.635203 0.103246 1.260001
H -7.585464 1.128611 0.118426
H -6.367777 1.891510 1.211100


