%chk=000210902.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210902

0 1
O -4.979059 -0.614878 2.139022
N -0.595325 -0.110665 0.794418
N -3.425890 0.480286 0.877800
N 4.524010 1.910451 0.440242
N 2.663584 0.411570 0.610324
N 3.648941 0.951022 -1.564332
N 1.615076 -0.420318 -1.406692
N 2.547912 0.172297 -3.504642
C -1.469021 -0.423080 -0.383028
C -1.356476 -0.263102 2.078209
C -2.661301 0.555640 -0.394292
C -2.561540 0.700934 2.070341
C 7.186104 1.284364 1.499100
C 6.934783 1.412686 -0.009490
C 5.910587 0.862075 2.240755
C 5.746860 2.344563 -0.298727
C 4.738961 1.801847 1.914305
C 0.632635 -0.966962 0.799506
C 3.623007 1.052551 -0.179046
C 1.685132 -0.270837 -0.046608
C -4.578355 -0.311768 1.025879
C -5.330919 -0.654063 -0.226912
C 2.611570 0.231721 -2.126852
C -5.325282 -1.975641 -0.689159
C -6.071447 0.330552 -0.892641
C -6.057010 -2.308996 -1.832875
C -6.803240 -0.010717 -2.033707
C -6.794086 -1.328055 -2.504728
H -1.830414 -1.472542 -0.394038
H -0.863233 -0.279821 -1.309522
H -0.679134 0.012743 2.916486
H -1.704249 -1.302184 2.261519
H -2.288281 1.602167 -0.502321
H -3.317731 0.351931 -1.265777
H -3.165112 0.566463 2.998471
H -2.209238 1.757058 2.043454
H 7.990449 0.547785 1.684989
H 7.554614 2.247254 1.902522
H 7.839072 1.794189 -0.518598
H 6.737255 0.413670 -0.447018
H 5.639237 -0.177215 1.967263
H 6.086035 0.852589 3.332466
H 5.539683 2.390346 -1.392957
H 5.970663 3.383983 0.030332
H 4.940721 2.830800 2.287202
H 3.804292 1.455195 2.414623
H 0.468699 -1.997760 0.409967
H 1.023184 -1.071014 1.840927
H -4.763447 -2.740448 -0.153601
H -6.080086 1.354249 -0.517686
H 1.898167 -0.460865 -3.943448
H 3.320097 0.516938 -4.052945
H -6.057301 -3.335380 -2.196367
H -7.383945 0.749924 -2.553253
H -7.365810 -1.591330 -3.393558


%chk=000210902-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210902

0 1
O -5.038398 -0.973394 2.046685
N -0.412808 -0.716578 0.827847
N -3.228333 -0.104820 0.859147
N 4.566829 1.601623 0.327248
N 2.770953 0.083441 0.564042
N 3.736733 0.567640 -1.626245
N 1.861038 -0.989464 -1.413878
N 2.823195 -0.506685 -3.495021
C -1.235810 -0.912753 -0.387934
C -1.215352 -0.974328 2.048049
C -2.439732 0.052431 -0.384693
C -2.416275 -0.009964 2.093895
C 7.059119 2.369686 1.629552
C 7.002046 2.058237 0.114796
C 5.961315 1.584430 2.386316
C 5.589232 2.328444 -0.454962
C 4.565286 1.862852 1.783396
C 0.873820 -1.460480 0.797462
C 3.675743 0.736541 -0.259663
C 1.898505 -0.747420 -0.067151
C -4.548268 -0.543738 0.948756
C -5.424271 -0.459369 -0.279480
C 2.813661 -0.295991 -2.139227
C -6.340698 -1.515427 -0.516789
C -5.457281 0.686318 -1.116739
C -7.246695 -1.446821 -1.596287
C -6.377584 0.763495 -2.185479
C -7.266512 -0.307434 -2.435717
H -1.613977 -1.966365 -0.456334
H -0.610469 -0.724052 -1.277244
H -0.582092 -0.799953 2.936945
H -1.591182 -2.028197 2.089713
H -2.063011 1.092605 -0.451983
H -3.076544 -0.153923 -1.257939
H -3.073977 -0.245997 2.945777
H -2.037996 1.026887 2.186125
H 8.058772 2.126650 2.036097
H 6.903560 3.457778 1.784949
H 7.737366 2.673454 -0.438416
H 7.262178 0.995585 -0.057603
H 6.169841 0.498411 2.326254
H 5.952491 1.861007 3.457972
H 5.500643 2.009078 -1.503960
H 5.370014 3.416456 -0.399765
H 4.295888 2.928094 1.949572
H 3.786208 1.231544 2.235755
H 0.747441 -2.503552 0.422111
H 1.274332 -1.496929 1.824121
H -6.341491 -2.371702 0.165616
H -4.787959 1.530225 -0.913835
H 2.153191 -1.158744 -3.894186
H 3.507057 -0.023150 -4.070993
H -7.943196 -2.273067 -1.776979
H -6.405409 1.659112 -2.816148
H -7.976736 -0.249523 -3.268243


