%chk=000185910.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185910

0 1
O -3.629030 0.494985 0.366253
O 1.338221 2.247512 -0.583192
N -0.232265 -0.420135 0.765314
N 2.100516 0.114687 -0.915517
C -0.029876 -1.017812 -1.688587
C 1.413976 -2.160836 -0.021191
C -0.962154 -0.513237 -0.551421
C 0.570838 -2.376187 -1.288412
C 2.582802 -1.171706 -0.330045
C 0.486619 -1.686902 1.117985
C 1.128034 -0.055359 -2.032754
C -1.534805 0.878571 -0.883887
C 3.479287 -0.991567 0.916643
C -1.195042 -0.064736 1.864280
C -2.480675 1.371103 0.216115
C -1.800868 1.319539 1.591081
C 3.994302 0.439319 1.084201
C 1.981649 1.296084 -0.154545
C 2.812808 1.406525 1.105209
C -4.619142 0.603646 -0.684549
C -5.786335 -0.232160 -0.185541
H -0.655173 -1.141010 -2.604766
H 1.870087 -3.131126 0.289401
H -1.823689 -1.232572 -0.475912
H -0.225857 -3.119081 -1.103524
H 1.184969 -2.789540 -2.107973
H 3.208860 -1.637114 -1.142618
H -0.204125 -2.515655 1.387346
H 1.100849 -1.467686 2.023123
H 1.689490 -0.437786 -2.912623
H 0.728755 0.949523 -2.314537
H -0.693238 1.612015 -0.975822
H -2.042157 0.857223 -1.861256
H 4.328758 -1.696545 0.854261
H 2.917361 -1.274714 1.832987
H -0.638020 -0.043374 2.823891
H -2.018121 -0.807538 1.969538
H -2.849898 2.395481 -0.010605
H -2.534138 1.564602 2.382089
H -1.006216 2.093237 1.622248
H 4.684051 0.700390 0.256348
H 4.582985 0.529774 2.016163
H 3.151433 2.455511 1.222776
H 2.143168 1.205533 1.969189
H -4.891551 1.664594 -0.822581
H -4.186262 0.204329 -1.618187
H -6.605817 -0.253687 -0.909983
H -5.471177 -1.265240 0.012375
H -6.173289 0.161720 0.763710


%chk=000185910-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185910

0 1
O -3.795064 0.396214 0.408961
O 1.677329 2.461384 -0.736206
N -0.327015 -0.512643 0.845942
N 2.045847 0.160993 -0.780251
C -0.036039 -0.973792 -1.622561
C 1.403673 -2.146078 0.029157
C -1.001454 -0.522606 -0.488954
C 0.590505 -2.343600 -1.272185
C 2.562215 -1.119398 -0.216576
C 0.401117 -1.766382 1.144118
C 1.117576 0.013573 -1.923109
C -1.614421 0.868360 -0.762112
C 3.444117 -0.910593 1.033178
C -1.288331 -0.186391 1.932811
C -2.610734 1.284082 0.341498
C -1.928798 1.196756 1.717095
C 4.280740 0.377629 0.923932
C 2.277507 1.432619 -0.276492
C 3.311346 1.572100 0.840833
C -4.723161 0.552801 -0.717313
C -5.987734 -0.240390 -0.382104
H -0.641040 -1.061513 -2.547961
H 1.888670 -3.100195 0.321253
H -1.841282 -1.270600 -0.472324
H -0.193325 -3.110626 -1.118199
H 1.240042 -2.693279 -2.099350
H 3.200379 -1.574725 -1.011011
H -0.303124 -2.635166 1.265442
H 0.909195 -1.642006 2.119746
H 1.685599 -0.375608 -2.795953
H 0.756455 1.022420 -2.175560
H -0.807953 1.625658 -0.789848
H -2.106090 0.865935 -1.754855
H 4.084672 -1.803708 1.156415
H 2.810567 -0.835092 1.936644
H -0.737871 -0.197659 2.893159
H -2.098204 -0.956072 1.998603
H -2.963625 2.323343 0.153264
H -2.675054 1.392768 2.508442
H -1.145518 1.975877 1.769069
H 4.922908 0.344576 0.021683
H 4.950146 0.482193 1.797991
H 3.834525 2.528398 0.667225
H 2.760353 1.680791 1.796688
H -4.957090 1.632021 -0.862511
H -4.264848 0.176415 -1.657729
H -6.722893 -0.166092 -1.204526
H -5.743387 -1.305613 -0.225364
H -6.450532 0.145517 0.542403


