%chk=000212425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212425

0 1
O 4.682792 0.248315 -0.142824
O -3.041164 -1.300142 0.093352
O 4.126131 -1.721544 0.864515
O -4.849532 -0.398203 -0.966972
N 0.367422 0.977226 0.844241
N 3.107324 0.281394 1.525577
N -3.371681 0.949820 0.250670
C 1.512802 1.620623 0.119170
C 0.716814 -0.431279 1.228252
C -0.878697 1.007384 0.013798
C 2.747921 1.643854 1.043708
C 1.949042 -0.419827 2.153576
C -2.081737 0.969595 0.984086
C -3.964275 2.258881 -0.192019
C 3.954327 -0.523876 0.735747
C -3.848794 -0.241004 -0.289511
C -3.828852 2.436140 -1.707611
C -5.428204 2.325265 0.249227
C 5.788570 -0.426665 -0.867511
C -3.491271 -2.653902 -0.308580
C 5.185430 -1.206181 -2.022553
C 6.656815 0.746116 -1.290324
C -2.736194 -3.545542 0.663430
C -3.115105 -2.862010 -1.765382
H 1.224126 2.665139 -0.127824
H 1.764975 1.115406 -0.837931
H -0.151025 -0.866910 1.772146
H 0.903880 -1.088623 0.351374
H -0.952240 0.165913 -0.710176
H -0.912320 1.942336 -0.583906
H 2.539809 2.263672 1.946848
H 3.618021 2.097963 0.517844
H 2.244283 -1.460265 2.421774
H 1.719062 0.119199 3.101340
H -2.025868 0.061670 1.632449
H -2.059762 1.848912 1.664279
H -3.382093 3.065259 0.329667
H -4.393467 1.659192 -2.248579
H -2.788821 2.374996 -2.039868
H -4.229052 3.403154 -2.029552
H -6.025764 1.534125 -0.234487
H -5.533129 2.185755 1.330760
H -5.880577 3.285515 -0.015329
H 6.298591 -1.095234 -0.138221
H -4.593316 -2.693922 -0.156859
H 4.538233 -0.577537 -2.645006
H 5.960025 -1.632628 -2.669165
H 4.570708 -2.039553 -1.648183
H 6.106362 1.445486 -1.932939
H 7.540449 0.406847 -1.842332
H 6.999217 1.319642 -0.418609
H -2.992610 -3.304664 1.703253
H -2.967663 -4.602965 0.492772
H -1.650077 -3.420205 0.566051
H -3.695468 -2.187613 -2.414067
H -3.316860 -3.887972 -2.091489
H -2.054107 -2.655329 -1.945998


%chk=000212425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212425

0 1
O 5.177162 0.392682 -0.125730
O -3.378436 -1.367017 0.191367
O 4.583110 -1.639574 0.910462
O -5.330727 -0.302706 -0.587104
N 0.318238 0.855838 0.324794
N 3.058598 0.136776 0.743408
N -3.494566 0.935859 0.217686
C 1.392486 1.506876 -0.466088
C 0.688444 -0.548851 0.641092
C -1.026730 0.975120 -0.283916
C 2.714618 1.510500 0.328803
C 1.990937 -0.587028 1.460740
C -2.134182 0.915239 0.798733
C -4.132459 2.263954 -0.062717
C 4.282793 -0.467839 0.543453
C -4.165187 -0.226719 -0.102258
C -4.429074 2.467992 -1.567051
C -5.387421 2.485302 0.813473
C 6.528365 -0.188844 -0.434510
C -4.010726 -2.693140 -0.124264
C 6.433931 -1.038577 -1.709950
C 7.463851 1.016687 -0.558274
C -3.322907 -3.696920 0.805137
C -3.823143 -2.998754 -1.617402
H 1.097247 2.551450 -0.676396
H 1.559577 0.989970 -1.445471
H -0.121746 -1.019121 1.225415
H 0.825156 -1.150178 -0.293280
H -1.222881 0.177383 -1.040607
H -1.086535 1.947641 -0.809146
H 2.584188 2.141952 1.231352
H 3.536049 1.918186 -0.277289
H 2.329246 -1.622618 1.624806
H 1.815980 -0.104925 2.443624
H -2.019680 -0.001228 1.397060
H -2.021278 1.780038 1.477498
H -3.365665 3.004740 0.237721
H -5.192307 1.750061 -1.908393
H -3.515836 2.328912 -2.174011
H -4.805678 3.493149 -1.737799
H -6.171038 1.757682 0.545883
H -5.144864 2.367364 1.885056
H -5.783254 3.505652 0.657292
H 6.808261 -0.829482 0.422189
H -5.088329 -2.602944 0.106853
H 6.086030 -0.425229 -2.560532
H 7.427172 -1.453367 -1.963103
H 5.736836 -1.879956 -1.560392
H 7.149775 1.672531 -1.389836
H 8.495410 0.673510 -0.757056
H 7.465257 1.608781 0.372875
H -3.461896 -3.412406 1.862263
H -3.751399 -4.704421 0.654688
H -2.239404 -3.746449 0.594485
H -4.335917 -2.241015 -2.232978
H -4.252687 -3.988644 -1.858819
H -2.749357 -3.012675 -1.877736


