%chk=000114217.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114217

0 1
 O   -6.061800     -0.7577000      7.5400002E-02
 N    1.085300     -0.2657000       1.530200    
 C   -1.548700       1.216300      0.7558000    
 C  -0.2529000       1.089100     -4.7899999E-02
 C   0.1952000     -0.3330000      0.3740000    
 C   -1.095700       1.021500       2.283500    
 C   -2.125300       2.635600      0.5349000    
 C  -0.3941000       1.426100      -1.543800    
 C   -2.487500      5.4400001E-02  0.2319000    
 C  -0.4123000      -1.365800     -0.5650000    
 C   0.4779000      0.7377000       2.486500    
 C   -2.278300       3.002800     -0.9452000    
 C  -0.9691000       2.832800      -1.714100    
 C   -1.950000      -1.114400     -0.4516000    
 C    2.460900      4.5000002E-02   1.179800    
 C   -3.874300      0.1325000      0.4135000    
 C   -2.814500      -2.087000     -0.9652000    
 C    3.045500      -1.020900      0.2510000    
 C   -4.714000     -0.8599000     -9.9900000E-02
 C   -4.190400      -1.952900     -0.7928000    
 C    4.481400     -0.7176000     -9.9200003E-02
 C    4.760500      5.4000001E-02  -1.216700    
 C    5.496900      -1.215300      0.7027000    
 C   -6.866700      -1.798600     -0.4736000    
 C    6.087900      0.3347000      -1.540400    
 C    6.824400     -0.9345000      0.3788000    
 C    7.119700     -0.1594000     -0.7427000    
 H   0.4666000       1.842800      0.3017000    
 H  -0.4885000     -0.7563000       1.124500    
 H   -1.658700      0.1942000       2.735700    
 H   -1.345700       1.915000       2.868700    
 H   -1.447700       3.370500      0.9916000    
 H   -3.085300       2.762400       1.046500    
 H   -1.043400      0.7325000      -2.085200    
 H   0.5900000       1.370700      -2.024300    
 H  -0.1798000      -2.383600     -0.2267000    
 H  -6.3600004E-02  -1.263700      -1.596600    
 H   0.9957000       1.703000       2.409100    
 H   0.6370000      0.3772000       3.509200    
 H   -2.613400       4.043300      -1.026900    
 H   -3.057400       2.386500      -1.408100    
 H   -1.135200       3.037800      -2.777700    
 H  -0.2397000       3.571200      -1.358500    
 H    2.547400       1.034100      0.7121000    
 H    3.060600      8.2900003E-02   2.098600    
 H   -4.320100      0.9649000      0.9498000    
 H   -2.419600      -2.958700      -1.479900    
 H    2.473000      -1.097000     -0.6817000    
 H    2.984400      -2.011800      0.7208000    
 H   -4.797600      -2.747800      -1.212700    
 H    3.963600      0.4455000      -1.842600    
 H    5.276800      -1.818000       1.579200    
 H   -6.785600      -1.838600      -1.565200    
 H   -7.909200      -1.556700     -0.2414000    
 H   -6.652700      -2.764800     -4.0000002E-03
 H    6.318000      0.9387000      -2.413300    
 H    7.628100      -1.318700       1.000300    
 H    8.153300      5.9400000E-02 -0.9946000    


%chk=000114217-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114217

0 1
O -6.125778 -0.621829 0.042570
N 1.115552 -0.354276 1.568300
C -1.566864 1.188675 0.778730
C -0.260227 1.014765 -0.022203
C 0.067567 -0.423772 0.514519
C -1.070761 0.988353 2.310536
C -2.184948 2.592510 0.551350
C -0.387964 1.337049 -1.526037
C -2.479999 0.011543 0.226748
C -0.399770 -1.454543 -0.521412
C 0.489666 0.702167 2.515519
C -2.309659 2.935498 -0.955219
C -0.954648 2.772360 -1.691511
C -1.938260 -1.148246 -0.481154
C 2.491056 0.015128 1.167081
C -3.879517 0.108804 0.357005
C -2.837511 -2.085396 -1.026193
C 3.143458 -1.099176 0.309698
C -4.757966 -0.861422 -0.186714
C -4.241824 -1.963932 -0.901851
C 4.566246 -0.742788 -0.091345
C 4.820640 0.046269 -1.243604
C 5.670229 -1.152530 0.700427
C -7.074791 -1.600392 -0.489863
C 6.138102 0.416955 -1.595477
C 6.990284 -0.784787 0.353794
C 7.229231 0.003130 -0.796067
H 0.492937 1.729600 0.365190
H -0.731625 -0.667566 1.226078
H -1.663583 0.191659 2.798253
H -1.283546 1.919091 2.874500
H -1.506819 3.331422 1.027964
H -3.163459 2.701543 1.058213
H -1.061834 0.629497 -2.042392
H 0.602837 1.260223 -2.017487
H -0.227866 -2.497724 -0.194118
H 0.023229 -1.336919 -1.536598
H 1.031198 1.666537 2.392105
H 0.647440 0.373707 3.560973
H -2.679257 3.973167 -1.069967
H -3.063043 2.273002 -1.424425
H -1.078473 3.010404 -2.765920
H -0.228021 3.505555 -1.282101
H 2.533308 0.981936 0.600473
H 3.092388 0.160601 2.085532
H -4.334970 0.955343 0.880414
H -2.429167 -2.957906 -1.551402
H 2.522045 -1.260829 -0.591959
H 3.120207 -2.036719 0.895061
H -4.895518 -2.723546 -1.340280
H 3.979003 0.365448 -1.871969
H 5.492161 -1.768124 1.591298
H -7.014206 -1.662705 -1.594342
H -8.067640 -1.230637 -0.193905
H -6.905329 -2.604877 -0.054375
H 6.314771 1.023308 -2.491494
H 7.830471 -1.114994 0.975624
H 8.252117 0.287085 -1.068271


