%chk=000297832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297832

0 1
O 4.098621 -2.988993 -0.709933
O -3.983281 1.804623 -0.098804
O 3.231717 1.210610 -1.636100
O 3.843882 -2.306342 1.437782
O -0.104144 2.665993 1.181408
O -2.792027 1.619429 -2.055451
N 3.964002 0.354637 0.352275
N 1.456681 2.940805 -0.466703
N -2.268738 3.235721 -0.432099
C 4.707326 -0.752230 -0.286344
C 2.533359 2.369910 0.366313
C 6.202441 -0.667177 0.006026
C 3.248654 1.269191 -0.418408
C 4.163988 -2.066645 0.299434
C -0.907690 3.474590 -0.953080
C 0.149951 2.957651 0.024684
C -4.345532 -0.593143 0.006829
C -4.866102 0.716190 -0.515824
C -3.643074 -0.642184 1.218990
C -4.585699 -1.772543 -0.712397
C -2.960939 2.132645 -0.971180
C -3.184314 -1.867074 1.709992
C -4.130644 -2.995971 -0.212530
C -3.430475 -3.045226 0.997330
C 3.612002 -4.315439 -0.363243
H 4.523730 -0.728753 -1.404068
H 3.956968 0.367886 1.371004
H 3.264447 3.174680 0.625017
H 2.109737 2.002414 1.337784
H 6.622875 0.275601 -0.371772
H 6.748618 -1.484282 -0.485964
H 6.427804 -0.718122 1.079375
H 1.664844 2.988665 -1.467988
H -0.798089 3.017389 -1.970158
H -0.782612 4.578332 -1.089458
H -4.972530 0.733169 -1.617792
H -5.816363 1.012122 -0.027787
H -2.369424 3.399116 0.580438
H -3.450108 0.281155 1.767229
H -5.118259 -1.739951 -1.661195
H -2.633554 -1.902399 2.648759
H -4.318276 -3.911815 -0.770359
H -3.075096 -3.998885 1.382497
H 3.549510 -4.806658 -1.340534
H 2.631762 -4.236962 0.118552
H 4.334252 -4.802927 0.297854


%chk=000297832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297832

0 1
O 8.213860 -2.086585 -0.344876
O -4.257558 1.869644 0.598772
O 3.569372 -0.280292 -1.658143
O 7.069701 -1.464580 1.586876
O 0.124244 0.880232 1.634855
O -3.549982 1.456292 -1.624088
N 4.994251 -0.470416 0.169552
N 1.438481 0.378973 -0.209784
N -2.100023 1.273840 0.203002
C 6.161814 -0.870157 -0.632315
C 2.649815 0.163366 0.575226
C 6.791223 0.319402 -1.407028
C 3.776677 -0.214156 -0.402465
C 7.168092 -1.496185 0.335447
C -0.932952 0.911455 -0.587656
C 0.251256 0.723770 0.377468
C -6.474079 0.836299 0.092185
C -5.647964 2.105672 0.088829
C -7.292753 0.513726 1.203946
C -6.440178 -0.045408 -1.019971
C -3.310416 1.518864 -0.384693
C -8.063477 -0.670543 1.210460
C -7.209188 -1.229932 -1.014164
C -8.023041 -1.545227 0.099756
C 9.274523 -2.705428 0.494826
H 5.847208 -1.632204 -1.370008
H 5.126780 -0.460474 1.187732
H 2.917506 1.075818 1.143909
H 2.494777 -0.638981 1.323458
H 6.031167 0.744455 -2.082234
H 7.647695 -0.030650 -2.006777
H 7.135085 1.104127 -0.710916
H 1.553592 0.250177 -1.224416
H -1.110779 -0.022392 -1.157945
H -0.696681 1.696439 -1.333693
H -5.567552 2.533339 -0.925693
H -6.046216 2.853148 0.793333
H -1.967626 1.336282 1.218752
H -7.322427 1.190505 2.066984
H -5.797690 0.200914 -1.872899
H -8.693598 -0.909606 2.074609
H -7.177022 -1.904930 -1.876936
H -8.621621 -2.463448 0.101615
H 10.005962 -3.094668 -0.225782
H 8.844492 -3.515380 1.106494
H 9.725452 -1.946295 1.154798


