%chk=000186930.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186930

0 1
O 2.223233 -0.178895 -1.457529
O 3.966538 2.032576 0.340813
O 4.193168 -1.541637 1.319574
O -1.174413 1.678060 0.102226
O -4.029868 2.363967 0.080063
N -0.006326 -0.139837 -0.696385
N -2.166823 -0.382580 0.393777
N -3.238956 -2.460810 0.530968
C 1.149937 0.724736 -1.160278
C 2.920510 1.066326 0.497429
C 1.657523 1.701170 -0.098353
C 3.232699 -0.153775 -0.408217
C 3.160111 -1.496996 0.332018
C -1.134632 0.463837 -0.053631
C -0.004142 -1.516085 -0.986140
C -1.031246 -2.306450 -0.607750
C -2.202262 -1.802106 0.117552
C -3.307861 0.268136 1.110986
C -4.277837 0.957338 0.139739
H 0.874470 1.179822 -2.140506
H 2.820537 0.791849 1.567252
H 0.902848 1.957031 0.673288
H 1.917994 2.681014 -0.561108
H 4.188390 -0.018182 -0.959992
H 3.244237 -2.349043 -0.364347
H 2.230184 -1.603190 0.925602
H 0.873985 -1.889079 -1.536485
H 4.638799 1.931716 1.045495
H -1.031954 -3.370065 -0.840212
H -2.899657 1.018236 1.830286
H -3.840646 -0.507215 1.713821
H 5.063125 -1.712766 0.901357
H -5.322607 0.904342 0.503739
H -4.229027 0.536353 -0.880677
H -3.291222 -3.460514 0.367257
H -3.068409 2.538013 -0.091631


%chk=000186930-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186930

0 1
O 1.969354 -0.204887 -1.324251
O 3.956410 1.294990 1.397758
O 5.279352 -1.118043 0.193256
O -1.465805 1.775672 -0.244364
O -4.075577 2.472461 -0.820676
N -0.182590 -0.164354 -0.247714
N -2.488627 -0.236895 0.397804
N -3.566035 -2.251640 0.999447
C 0.970975 0.684789 -0.706947
C 2.888481 0.529106 0.775109
C 1.684891 1.430144 0.449777
C 3.268799 -0.009688 -0.625478
C 4.041462 -1.331613 -0.593507
C -1.400494 0.517713 -0.038865
C -0.083149 -1.541832 -0.074870
C -1.158114 -2.285967 0.330732
C -2.456423 -1.665411 0.601763
C -3.758742 0.492716 0.700491
C -4.468008 1.095765 -0.536739
H 0.565178 1.374282 -1.463251
H 2.582325 -0.323042 1.421802
H 1.016562 1.607827 1.304330
H 2.061838 2.405128 0.094320
H 3.854403 0.770235 -1.156966
H 4.265511 -1.703242 -1.611105
H 3.474153 -2.103346 -0.046504
H 0.886773 -1.971833 -0.327025
H 4.726027 0.671584 1.497529
H -1.064226 -3.367498 0.447448
H -3.536519 1.305835 1.415504
H -4.398316 -0.265746 1.179372
H 5.998278 -0.790807 -0.402772
H -5.552790 1.137101 -0.335978
H -4.306358 0.429415 -1.412531
H -3.446513 -3.272666 1.127984
H -3.082085 2.519046 -0.714884


