%chk=000190992.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190992

0 1
O 8.287857 0.632880 -0.655517
O 4.985680 2.047698 1.700059
O 6.802676 -0.366974 -2.006821
O 5.225801 -4.821836 -0.121493
O 7.112477 -4.287808 0.959214
N 4.914844 0.425790 0.100606
N -2.005423 2.048853 -0.231403
N -5.155315 0.683024 -1.013209
N -5.146212 0.130202 1.795211
N -6.904609 -1.450577 1.485380
N -7.832297 -1.870897 -0.776700
N -7.028172 -0.750307 -2.662748
N -8.638561 -2.999596 1.127668
C 6.275650 -0.047801 0.397876
C 6.310082 -1.486362 0.941793
C 5.686862 -2.521744 0.004294
C 0.382183 2.615648 -0.360231
C -1.012034 3.037598 -0.757206
C 2.975055 1.873637 0.379472
C 4.357196 1.505670 0.810966
C 7.087527 0.028614 -0.900926
C -3.383896 2.340728 -0.735512
C 0.671135 2.307795 0.978340
C 1.398748 2.555247 -1.325509
C 1.965026 1.941593 1.349970
C 2.694193 2.186686 -0.956513
C -4.327768 1.303601 -0.180292
C 6.134945 -3.906552 0.362188
C -6.023653 -0.238942 -0.468198
C -4.328670 1.011331 1.247127
C -6.044781 -0.539011 0.942983
C -6.969399 -0.958484 -1.310406
C -7.763707 -2.079291 0.603385
H 6.744287 0.645979 1.168570
H 5.790227 -1.506943 1.924718
H 7.366392 -1.764570 1.168403
H 4.575710 -2.465220 0.022235
H 5.963219 -2.325048 -1.063058
H 4.394270 -0.077905 -0.613069
H -1.237099 4.028903 -0.291784
H -1.084582 3.188988 -1.857723
H -3.455933 2.379000 -1.847617
H -3.691256 3.347557 -0.363117
H -1.729012 1.099412 -0.514794
H -0.124239 2.354890 1.726094
H 1.185839 2.798945 -2.365324
H 2.195912 1.717417 2.393774
H 3.484062 2.154813 -1.708169
H -3.614739 1.535209 1.903659
H 8.866994 0.701741 -1.464886
H 5.486225 -5.762636 0.070856
H -6.416667 -0.080640 -3.105781
H -7.692022 -1.251734 -3.232769
H -9.285785 -3.488902 0.531795
H -8.635944 -3.194172 2.117737


%chk=000190992-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190992

0 1
O 8.929648 0.583529 -0.128313
O 4.380591 0.603998 2.188803
O 7.301206 1.018915 -1.725528
O 6.353756 -4.509031 -0.687646
O 7.003896 -4.006736 1.484364
N 5.283217 0.624346 0.057718
N -2.121046 1.561932 -0.649358
N -5.566087 0.695666 -1.029015
N -5.372553 0.162914 1.793450
N -7.400943 -1.078340 1.689801
N -8.591651 -1.328629 -0.469078
N -7.736922 -0.345172 -2.432806
N -9.391794 -2.279494 1.503975
C 6.630024 0.314854 0.548520
C 6.806355 -1.167690 1.002533
C 6.520883 -2.178216 -0.121325
C 0.332340 1.985927 -0.616206
C -1.031383 2.439046 -1.124315
C 2.906214 1.213633 0.348574
C 4.227612 0.798001 0.938495
C 7.611923 0.683101 -0.558122
C -3.484712 2.025552 -0.980426
C 0.486084 1.460161 0.692577
C 1.481819 2.120448 -1.433673
C 1.755956 1.083631 1.168860
C 2.755825 1.742859 -0.959816
C -4.534768 1.175703 -0.291587
C 6.661505 -3.612415 0.349324
C -6.508273 -0.047462 -0.362377
C -4.459196 0.889558 1.117109
C -6.442538 -0.332315 1.050450
C -7.645672 -0.593709 -1.093350
C -8.415123 -1.530406 0.896755
H 6.841809 0.941819 1.436708
H 6.116069 -1.328625 1.847209
H 7.832935 -1.296858 1.386546
H 5.497133 -2.048961 -0.521225
H 7.201824 -2.045013 -0.985467
H 5.188834 0.791044 -0.947327
H -1.243929 3.458801 -0.738808
H -0.992609 2.532471 -2.237721
H -3.716770 2.035312 -2.070951
H -3.568784 3.074832 -0.627552
H -1.969558 0.578429 -0.909980
H -0.403416 1.348856 1.320851
H 1.381830 2.528481 -2.446925
H 1.890633 0.691065 2.182080
H 3.621212 1.892900 -1.616771
H -3.608087 1.273197 1.689624
H 9.547969 0.820999 -0.871538
H 6.452831 -5.441532 -0.352409
H -7.003175 0.216134 -2.865789
H -8.521065 -0.714014 -2.965425
H -10.164527 -2.635941 0.948564
H -9.318055 -2.462062 2.501539


