%chk=000219211.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219211

0 1
O -0.000759 1.967384 0.000045
O -4.548363 -2.616326 0.032706
O 4.547979 -2.615200 -0.033335
O -2.321326 -2.511359 0.017043
O 2.320921 -2.510802 -0.016921
N -1.181351 -0.042924 0.008751
N 1.180322 -0.042635 -0.008312
C -2.504083 0.467672 0.018142
C 2.502930 0.468284 -0.017938
C -3.592291 -0.450148 0.025852
C 3.591361 -0.449269 -0.025910
C -2.773824 1.855053 0.020068
C 2.772331 1.855731 -0.019796
C -0.000613 0.751501 0.000143
C -4.914020 0.049603 0.035153
C 4.912965 0.050807 -0.035371
C -4.082777 2.313673 0.029279
C 4.081168 2.314671 -0.029168
C -5.163040 1.412930 0.036873
C 5.161652 1.414193 -0.037005
C -3.377066 -1.896752 0.024413
C 3.376501 -1.895923 -0.024569
H -1.086271 -1.087933 0.008256
H 1.085494 -1.087667 -0.007664
H -1.944998 2.575220 0.014242
H 1.943330 2.575694 -0.013797
H -5.743122 -0.666884 0.041040
H 5.742239 -0.665479 -0.041458
H -4.277930 3.388697 0.030669
H 4.276061 3.389743 -0.030491
H -6.184120 1.788504 0.044040
H 6.182638 1.790019 -0.044289
H -4.376662 -3.600433 0.031537
H 4.376521 -3.599346 -0.032229


%chk=000219211-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219211

0 1
O -0.000780 2.174370 -0.000126
O -4.324673 -2.737671 0.038184
O 4.324315 -2.736607 -0.038554
O -2.042631 -2.394161 0.020215
O 2.042186 -2.393667 -0.020888
N -1.156803 0.107430 0.008796
N 1.155737 0.107710 -0.008872
C -2.494960 0.537969 0.017489
C 2.493789 0.538576 -0.017465
C -3.541147 -0.459369 0.027218
C 3.540223 -0.458504 -0.027072
C -2.865903 1.914223 0.016938
C 2.864392 1.914923 -0.016891
C -0.000630 0.907243 -0.000120
C -4.904783 -0.051764 0.035711
C 4.903759 -0.050561 -0.035418
C -4.222661 2.281725 0.025444
C 4.221060 2.282760 -0.025243
C -5.253184 1.306963 0.034855
C 5.251825 1.308252 -0.034519
C -3.212953 -1.893221 0.028440
C 3.212387 -1.892436 -0.028374
H -1.062327 -0.929385 0.010127
H 1.061512 -0.929129 -0.010048
H -2.076003 2.666293 0.009918
H 2.074303 2.666795 -0.009962
H -5.673851 -0.828526 0.042932
H 5.673018 -0.827134 -0.042557
H -4.480565 3.346864 0.024731
H 4.478701 3.347963 -0.024509
H -6.304925 1.609003 0.041412
H 6.303492 1.610551 -0.040953
H -4.003467 -3.679080 0.037652
H 4.003342 -3.678096 -0.038495


