%chk=000245089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245089

0 1
O -3.794091 -1.764989 -2.511303
N -0.382710 -0.796370 0.803947
N 4.584969 0.603427 -0.568477
N -1.879055 1.392919 1.630131
C 0.448907 -2.004688 0.555351
C 1.914609 -1.698556 0.928763
C 2.557568 -0.691312 -0.029718
C 4.036820 -0.461545 0.324183
C -0.085416 -3.187552 1.374827
C 6.000709 0.970185 -0.261672
C -1.582670 -0.551014 0.172924
C -2.360791 0.621540 0.585422
C 6.348500 2.212098 -1.094643
C 7.007621 -0.161627 -0.536148
C -2.076022 -1.354751 -0.859471
C -3.577741 0.929786 -0.088299
C -3.290409 -0.997819 -1.488218
C -4.047078 0.107775 -1.140553
C -4.294661 2.094925 0.350117
C -3.803540 2.852060 1.380276
C -2.573934 2.460785 2.007136
H 0.390231 -2.258335 -0.538459
H 2.488297 -2.646861 0.920966
H 1.979411 -1.327282 1.970738
H 2.462309 -1.040268 -1.075526
H 2.015415 0.278152 0.005497
H 4.123550 -0.107196 1.375512
H 4.599521 -1.417908 0.261240
H -0.104409 -0.193469 1.582841
H 0.466687 -4.107753 1.159181
H -1.144219 -3.378322 1.153759
H -0.017607 -3.005488 2.453770
H 4.491157 0.324438 -1.549494
H 6.048666 1.239095 0.826792
H 7.318291 2.624974 -0.801384
H 6.389447 1.994862 -2.166706
H 5.592906 2.997199 -0.952950
H 6.811292 -1.039133 0.086913
H 8.031422 0.164694 -0.324169
H 6.984578 -0.484742 -1.581559
H -1.538843 -2.234738 -1.186841
H -4.971152 0.333715 -1.659907
H -5.225273 2.352962 -0.154182
H -4.320463 3.740487 1.735676
H -2.170570 3.053476 2.834863
H -3.214330 -2.535533 -2.722744


%chk=000245089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245089

0 1
O -4.166838 -1.915483 -2.344195
N -0.414515 -0.897458 0.691108
N 4.615160 0.596216 -0.545346
N -1.653364 1.369166 1.446620
C 0.419005 -2.086460 0.466365
C 1.886873 -1.765933 0.839661
C 2.545201 -0.686744 -0.047706
C 4.021332 -0.438028 0.325167
C -0.107059 -3.314038 1.256437
C 5.977825 1.074712 -0.197725
C -1.636507 -0.644757 0.110075
C -2.303113 0.588895 0.511607
C 6.316605 2.290656 -1.084190
C 7.087316 -0.011710 -0.297470
C -2.271387 -1.475675 -0.837881
C -3.578838 0.940585 -0.068854
C -3.530512 -1.094127 -1.393699
C -4.190916 0.084172 -1.031978
C -4.162922 2.173457 0.379222
C -3.499043 2.958615 1.326072
C -2.238605 2.519253 1.838918
H 0.389299 -2.324938 -0.619439
H 2.468885 -2.706820 0.775244
H 1.922849 -1.450934 1.904677
H 2.484928 -1.004515 -1.110696
H 1.995901 0.269882 0.023353
H 4.079079 -0.071424 1.370548
H 4.566874 -1.416419 0.302633
H -0.124595 -0.181629 1.369353
H 0.457526 -4.226193 0.987249
H -1.176904 -3.493019 1.049229
H 0.002261 -3.145736 2.343441
H 4.549046 0.341840 -1.542090
H 5.927097 1.417129 0.856824
H 7.302229 2.714221 -0.819048
H 6.352405 1.998189 -2.152508
H 5.547419 3.073382 -0.969173
H 6.849634 -0.892735 0.326729
H 8.062939 0.386884 0.039041
H 7.201977 -0.352195 -1.345235
H -1.803688 -2.414792 -1.156098
H -5.155672 0.330100 -1.483609
H -5.130175 2.486142 -0.030678
H -3.927533 3.901786 1.679906
H -1.698315 3.116849 2.581874
H -3.621266 -2.718065 -2.535335


