%chk=000181698.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181698

0 1
O 2.879310 1.833817 -0.383064
O 1.650897 4.454487 0.029082
O 4.272588 -2.636223 0.138608
O 2.496337 -4.470775 -0.723298
N -3.037908 0.085548 0.178325
C -1.573192 -0.219580 0.337265
C -0.701310 1.019033 0.218832
C -1.145569 -1.218380 -0.767103
C -3.422101 1.270214 1.012034
C -1.235619 2.313259 0.326944
C -2.716530 2.515494 0.460263
C 0.680933 0.829604 -0.009945
C 0.301749 -1.562341 -0.574751
C -3.883807 -1.104426 0.535115
C 1.192171 -0.548668 -0.151564
C 1.511156 1.961973 -0.131556
C -0.397475 3.430416 0.271544
C -5.256264 -0.962645 -0.144269
C 0.977711 3.258516 0.049343
C 0.752915 -2.872771 -0.778593
C 2.529450 -0.873136 0.140164
C -6.128241 -2.199476 0.105146
C 2.088328 -3.180383 -0.514543
C 2.974499 -2.176296 -0.043764
C -7.495965 -2.064697 -0.560412
C 3.174042 1.587439 -1.788656
C 3.101071 4.441420 0.023522
C 5.068676 -1.925118 1.118386
H -1.361867 -0.680098 1.343466
H -1.308334 -0.761995 -1.768262
H -1.792496 -2.118202 -0.748431
H -3.179046 1.139498 2.089076
H -4.524381 1.404686 0.941996
H -2.947972 3.390675 1.098266
H -3.122717 2.752803 -0.550455
H -4.003459 -1.237736 1.631095
H -3.384546 -2.027433 0.159246
H -0.788123 4.439714 0.385140
H -5.113335 -0.803081 -1.232237
H -5.771874 -0.052363 0.217655
H 0.084203 -3.657774 -1.126648
H 3.206410 -0.092149 0.499707
H -6.257506 -2.359622 1.193477
H -5.617315 -3.105575 -0.276101
H -8.111529 -2.954047 -0.384943
H -8.049689 -1.200685 -0.175868
H -7.405296 -1.937445 -1.645556
H 2.720576 0.643620 -2.108587
H 4.266157 1.522964 -1.790711
H 2.815180 2.421181 -2.397088
H 3.456639 -4.581446 -0.463423
H 3.489851 3.729666 0.759527
H 3.334752 5.477327 0.294642
H 3.455630 4.194794 -0.980470
H 4.548363 -1.882905 2.079297
H 5.307928 -0.924485 0.745608
H 5.968046 -2.549995 1.177529


%chk=000181698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181698

0 1
O 2.977712 1.707663 -0.430757
O 1.898515 4.328598 -0.328074
O 4.211353 -2.910387 0.261512
O 2.410189 -4.711472 -0.568831
N -3.056256 0.092910 0.102288
C -1.606587 -0.234761 0.201121
C -0.693425 0.989394 0.049127
C -1.172945 -1.260981 -0.874215
C -3.396365 1.342685 0.826480
C -1.208017 2.307282 0.050977
C -2.703861 2.541523 0.168381
C 0.714562 0.747497 -0.111248
C 0.265580 -1.666194 -0.607671
C -3.929975 -1.030065 0.545222
C 1.193751 -0.661094 -0.195016
C 1.577625 1.874852 -0.239505
C -0.324160 3.406947 -0.050858
C -5.308912 -1.028807 -0.147663
C 1.057750 3.197563 -0.179961
C 0.678824 -3.010612 -0.733879
C 2.531391 -1.046608 0.113625
C -6.229936 -2.158030 0.368543
C 2.003386 -3.379523 -0.446140
C 2.924714 -2.386826 -0.009896
C -7.604886 -2.174503 -0.333302
C 3.424299 2.024198 -1.808155
C 2.888515 4.513874 0.756275
C 5.228844 -1.975637 0.741748
H -1.381597 -0.691277 1.204787
H -1.286498 -0.782843 -1.868036
H -1.823634 -2.152071 -0.865565
H -3.101784 1.281041 1.906677
H -4.491877 1.477545 0.793925
H -2.902327 3.462470 0.749333
H -3.137267 2.690055 -0.840125
H -4.070442 -1.009677 1.656676
H -3.428356 -1.987747 0.317702
H -0.698059 4.436116 -0.028718
H -5.154796 -1.132225 -1.239259
H -5.812193 -0.052820 0.005128
H -0.024940 -3.787375 -1.048958
H 3.237985 -0.279161 0.431851
H -6.373739 -2.044041 1.462826
H -5.728686 -3.137057 0.222163
H -8.246888 -2.988473 0.050802
H -8.140587 -1.218958 -0.177349
H -7.490942 -2.319219 -1.424104
H 2.960145 1.324573 -2.528130
H 4.517746 1.891501 -1.806137
H 3.165155 3.067315 -2.064129
H 3.368164 -4.766586 -0.307587
H 2.370190 4.688335 1.718920
H 3.466176 5.408354 0.476124
H 3.550457 3.633484 0.836690
H 4.922240 -1.515907 1.700636
H 5.419311 -1.180395 -0.004230
H 6.137459 -2.578243 0.887958


