%chk=000214079.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214079

0 1
O 0.407145 -0.090117 1.894780
O -1.065167 -2.324255 1.467046
N -3.213421 0.230821 -0.425301
C -0.879168 -0.509018 -0.133347
C 0.481393 -0.037122 0.457141
C -2.042262 0.287847 0.506890
C -1.113477 -2.017901 0.043614
C 0.776917 1.423587 0.124300
C 1.660003 -0.898833 0.003235
C -3.233753 1.427004 -1.333224
C -4.509385 0.079297 0.315733
C 0.733200 1.876802 -1.202014
C 1.812310 -1.281783 -1.336493
C 1.105198 2.319657 1.151360
C 2.621184 -1.290142 0.946107
C -4.060177 1.118486 -2.582946
C -4.635757 -1.342586 0.864833
C 1.010862 3.214910 -1.494815
C 2.906462 -2.061272 -1.723456
C 1.382075 3.656736 0.854870
C 3.713149 -2.069749 0.557373
C 1.334678 4.107343 -0.468041
C 3.856641 -2.459536 -0.778087
C -0.250162 -3.468020 1.793391
H -0.878152 -0.309785 -1.236634
H -1.717842 1.324691 0.740388
H -2.294557 -0.172960 1.489148
H -0.380293 -2.618315 -0.515848
H -2.141684 -2.290165 -0.268360
H -3.622866 2.340125 -0.832931
H -2.187008 1.658340 -1.634955
H -4.620708 0.818303 1.138633
H -5.342376 0.270471 -0.397594
H -0.101903 -0.909324 2.175320
H 0.490592 1.190080 -2.010777
H 1.086002 -0.970345 -2.084839
H 1.139630 1.961807 2.184427
H 2.509525 -0.968281 1.985109
H -3.960597 1.914857 -3.326824
H -5.125303 1.004691 -2.351132
H -3.734344 0.177249 -3.045091
H -5.572748 -1.470978 1.414542
H -3.808223 -1.594803 1.543181
H -4.612790 -2.080445 0.053342
H 0.977887 3.561352 -2.525843
H 3.020366 -2.354710 -2.765374
H 1.636780 4.347165 1.656877
H 4.456657 -2.367427 1.294579
H 1.551629 5.148164 -0.698207
H 4.708030 -3.064939 -1.081696
H -0.654138 -4.367314 1.320135
H 0.791319 -3.296429 1.498682
H -0.345075 -3.532629 2.883992


%chk=000214079-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214079

0 1
O 0.529509 -0.168618 1.946967
O -0.980503 -2.294515 1.482766
N -3.183006 0.169333 -0.381071
C -0.765489 -0.460842 -0.132757
C 0.610457 -0.008923 0.486556
C -1.955938 0.355338 0.442491
C -1.029472 -1.967934 0.034944
C 0.871747 1.491834 0.214954
C 1.808522 -0.833122 -0.061733
C -3.242250 1.131026 -1.517048
C -4.428699 0.155131 0.434046
C 1.004186 1.983029 -1.108837
C 1.896282 -1.265577 -1.410900
C 0.985608 2.400648 1.294289
C 2.887498 -1.125299 0.810107
C -4.102828 0.629162 -2.692037
C -4.629141 -1.174606 1.186863
C 1.231025 3.355911 -1.349131
C 3.029857 -1.970814 -1.874332
C 1.221455 3.773731 1.055446
C 4.022877 -1.827087 0.349156
C 1.340805 4.259704 -0.266565
C 4.100720 -2.254341 -0.996689
C -1.121943 -3.724921 1.747581
H -0.734933 -0.273805 -1.224458
H -1.671145 1.428117 0.514078
H -2.153679 0.011453 1.471334
H -0.268251 -2.578382 -0.490753
H -2.040798 -2.197754 -0.356245
H -3.607068 2.134088 -1.179623
H -2.207926 1.290683 -1.876764
H -4.447587 1.006626 1.159801
H -5.284920 0.307193 -0.248513
H 0.070199 -1.053207 2.095954
H 0.951387 1.296854 -1.962141
H 1.081221 -1.062656 -2.115850
H 0.881703 2.009914 2.309549
H 2.813888 -0.793211 1.850104
H -4.088054 1.360202 -3.522105
H -5.157830 0.480663 -2.398081
H -3.716581 -0.336679 -3.063096
H -5.542179 -1.134817 1.810346
H -3.773381 -1.399109 1.849342
H -4.730139 -2.007037 0.467362
H 1.330481 3.718107 -2.378974
H 3.075633 -2.297799 -2.919712
H 1.309542 4.464084 1.902539
H 4.848003 -2.038653 1.039270
H 1.521430 5.324708 -0.452053
H 4.981176 -2.799019 -1.356091
H -2.097946 -4.096540 1.375125
H -0.303987 -4.301383 1.269133
H -1.073243 -3.850285 2.840656


