%chk=000297852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297852

0 1
O -5.154237 -0.084670 0.471552
O -4.214293 1.024738 -1.263609
O -2.053347 -3.130831 -0.227830
O 2.287926 -0.802025 -1.860896
O 0.225352 0.038550 -2.439407
N -2.104726 -0.960594 -0.967024
N 0.570445 -2.239166 -2.045230
C -2.022393 0.519508 1.081704
C -2.854304 -0.458092 0.198010
C -0.915875 -0.271276 1.809206
C -1.448758 1.675561 0.263662
C -0.330432 0.506477 2.984041
C -4.095744 0.265842 -0.334341
C -1.708456 -2.289523 -1.038163
C -0.831574 -2.631232 -2.258231
C -6.443564 0.511756 0.168053
C 0.936601 -0.901030 -2.131926
C 2.864307 0.544263 -1.934507
C 2.737346 1.221706 -0.601162
C 3.395611 0.692378 0.518853
C 1.973806 2.390787 -0.475800
C 3.300809 1.338708 1.753795
C 1.887817 3.037713 0.760572
C 2.552298 2.514658 1.874399
H -2.725047 0.935735 1.849210
H -3.189294 -1.337040 0.830886
H -0.109434 -0.532888 1.095787
H -1.319148 -1.239292 2.171326
H -2.221306 2.185030 -0.327723
H -0.982309 2.423451 0.914863
H -0.671195 1.342866 -0.440446
H -1.714163 -0.245663 -1.602624
H 0.421269 -0.091160 3.512771
H -1.099257 0.786169 3.712570
H 0.163715 1.427398 2.649275
H -1.233286 -2.147161 -3.182375
H -0.879864 -3.734440 -2.427716
H 1.198900 -2.921024 -1.625733
H -7.134886 -0.093045 0.764394
H -6.653349 0.434998 -0.904212
H -6.431772 1.557398 0.488385
H 3.913449 0.303810 -2.197733
H 2.379950 1.101121 -2.759262
H 3.973770 -0.226296 0.424083
H 1.441921 2.793200 -1.338712
H 3.811527 0.926935 2.622836
H 1.301480 3.950634 0.854452
H 2.487416 3.022060 2.835678


%chk=000297852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297852

0 1
O -5.177064 0.334377 0.432880
O -4.203987 0.546648 -1.673031
O -2.179305 -3.327156 -0.227900
O 2.399189 -0.868695 -1.883243
O 0.259843 -0.044078 -2.467858
N -2.057901 -1.076721 -0.861237
N 0.621632 -2.284278 -1.886107
C -2.297444 0.296518 1.259885
C -2.984762 -0.603443 0.168965
C -1.200434 -0.521728 1.991915
C -1.757598 1.612919 0.654208
C -0.612867 0.191423 3.228754
C -4.150840 0.138098 -0.492102
C -1.733356 -2.410927 -0.985923
C -0.759893 -2.716049 -2.148617
C -6.363348 1.071164 -0.068719
C 1.021168 -0.988021 -2.102344
C 2.974486 0.511552 -2.048646
C 2.937679 1.300359 -0.758057
C 3.911753 1.077741 0.249305
C 1.935547 2.280089 -0.544882
C 3.880912 1.816116 1.452366
C 1.906482 3.024413 0.655990
C 2.878163 2.793786 1.657066
H -3.095405 0.541099 1.990276
H -3.384161 -1.504698 0.671245
H -0.384929 -0.753952 1.278597
H -1.631309 -1.495244 2.299430
H -2.554790 2.188828 0.148434
H -1.330695 2.257041 1.442173
H -0.957988 1.412477 -0.082791
H -1.652069 -0.407393 -1.529064
H 0.090415 -0.473510 3.762832
H -1.409699 0.480204 3.940844
H -0.054806 1.103551 2.949592
H -1.112903 -2.219753 -3.070709
H -0.766339 -3.806344 -2.300105
H 1.305002 -2.945695 -1.517206
H -7.041124 1.130825 0.794020
H -6.827592 0.519423 -0.903121
H -6.070591 2.075806 -0.417698
H 4.005644 0.298389 -2.372568
H 2.414419 1.019162 -2.852036
H 4.691694 0.323115 0.089505
H 1.177819 2.447891 -1.318948
H 4.637154 1.636648 2.224652
H 1.130386 3.782932 0.807973
H 2.857515 3.372094 2.587704


