%chk=000198834.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198834

0 1
O -0.411632 1.154899 1.005991
O 4.015391 1.523626 -1.484340
O 4.057315 -2.877822 0.657648
O 5.360581 -0.869551 -0.998548
O -0.435323 -0.973510 1.970844
N -7.107548 1.015783 -1.431562
C -2.851023 0.841998 0.607567
C -4.277080 1.110182 1.164653
C -1.774424 1.384642 1.558409
C -5.362892 0.569686 0.250185
C 1.507979 -0.246836 0.676130
C 0.156580 -0.102292 1.281933
C 2.203972 -1.450798 0.897903
C 2.085665 0.783802 -0.112341
C 3.366816 0.586428 -0.661733
C 3.495672 -1.645660 0.354086
C 4.101593 -0.623783 -0.418544
C -5.631237 -0.820286 0.152808
C -6.137320 1.434546 -0.565921
C -6.630973 -1.276726 -0.732903
C -7.340681 -0.327744 -1.505496
C 6.458367 0.064880 -0.658729
C 3.270320 2.736150 -1.836961
C 5.361381 -3.282822 0.113854
H -2.702999 -0.245150 0.475576
H -2.743528 1.314732 -0.386549
H -4.362769 0.643535 2.166412
H -4.418617 2.199991 1.304379
H -1.843981 0.898634 2.548891
H -1.838954 2.480646 1.665824
H 1.756116 -2.245487 1.500188
H 1.517944 1.699852 -0.281683
H -5.066700 -1.532926 0.766428
H -5.976070 2.519835 -0.524940
H -6.860888 -2.343049 -0.825221
H -8.123426 -0.640622 -2.205964
H 6.622783 0.083418 0.436239
H 6.232714 1.077483 -1.028188
H 7.345336 -0.343165 -1.167003
H 3.044053 3.345452 -0.940814
H 2.329856 2.485471 -2.363278
H 3.937009 3.295296 -2.509748
H 6.177440 -2.655234 0.514851
H 5.371216 -3.235102 -0.988011
H 5.477870 -4.321101 0.461080


%chk=000198834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198834

0 1
O -0.367913 1.198082 1.036550
O 4.064559 1.589811 -1.424490
O 4.282095 -2.707197 0.882842
O 5.478063 -0.750663 -0.787017
O -0.365160 -0.899673 2.064357
N -6.942612 0.873365 -1.590685
C -2.794607 0.831217 0.610626
C -4.234950 1.111395 1.123906
C -1.742783 1.421152 1.561017
C -5.293114 0.524336 0.206078
C 1.577694 -0.179883 0.770937
C 0.218349 -0.039886 1.356925
C 2.296255 -1.366999 1.035538
C 2.141873 0.832758 -0.046736
C 3.433805 0.659089 -0.581099
C 3.593077 -1.541636 0.510625
C 4.191830 -0.518912 -0.283522
C -5.591406 -0.862774 0.204009
C -6.005851 1.338584 -0.712242
C -6.558142 -1.366453 -0.692897
C -7.204946 -0.466770 -1.572079
C 6.513145 0.276706 -0.524935
C 3.300220 2.783772 -1.800441
C 4.804635 -3.561133 -0.207308
H -2.636395 -0.259232 0.525593
H -2.668436 1.264573 -0.399230
H -4.341973 0.686463 2.141868
H -4.385753 2.205217 1.213864
H -1.820316 0.965682 2.565250
H -1.827099 2.518742 1.632655
H 1.858506 -2.149845 1.660462
H 1.552540 1.728201 -0.251514
H -5.075259 -1.536318 0.898975
H -5.820786 2.420322 -0.746641
H -6.810278 -2.431568 -0.713279
H -7.959775 -0.817380 -2.285192
H 6.623876 0.432070 0.564393
H 6.255670 1.223557 -1.025126
H 7.439694 -0.146747 -0.940918
H 3.058023 3.402728 -0.915252
H 2.367714 2.508453 -2.328724
H 3.961069 3.343964 -2.477977
H 5.524977 -3.006850 -0.830665
H 3.968820 -3.936663 -0.828789
H 5.296965 -4.402356 0.303686


