%chk=000113956.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113956

0 1
 O   -4.704300       1.152500     -0.9224000    
 O    4.423800      -2.139800      0.9616000    
 N   -3.588000     -0.2520000      0.5790000    
 N    2.995100      -1.959200     -0.9061000    
 C   -1.941300      -2.059400       1.018100    
 C   -3.117400      -3.037200       1.175700    
 C   -2.384000     -0.6228000       1.336800    
 C   -1.315100      -2.147300     -0.3772000    
 C   -4.362600      -2.582900      0.4129000    
 C   -4.730900      -1.145400      0.7651000    
 C   0.1141000      -1.611800     -0.3779000    
 C   0.7245000      -1.671400      -1.778200    
 C   -3.702300      0.8446000     -0.2789000    
 C    2.164700      -1.173300      -1.777300    
 C   -2.535100       1.719400     -0.4400000    
 C   -1.597200       1.454300      -1.438000    
 C   -2.363800       2.816600      0.4043000    
 C    3.097600      -3.389500      -1.214300    
 C    3.711800      -1.474400      0.2102000    
 C  -0.4879000       2.285900      -1.591400    
 C   -1.254500       3.648200      0.2507000    
 C    3.617500     -3.6200002E-02  0.5071000    
 C  -0.3166000       3.382900     -0.7471000    
 C    2.614700      0.4369000       1.353500    
 C    4.531200      0.8540000     -5.7200000E-02
 C    2.525300       1.800100       1.635300    
 C    4.441800       2.217200      0.2246000    
 C    3.438800       2.690200       1.070900    
 H   -1.180800      -2.352700       1.754100    
 H   -2.829900      -4.044500      0.8532000    
 H   -3.370000      -3.113000       2.241500    
 H   -2.655600     -0.5536000       2.397900    
 H   -1.570500      8.7700002E-02   1.185800    
 H   -1.923600      -1.623400      -1.121700    
 H   -1.280100      -3.197700     -0.6941000    
 H   -5.202000      -3.248600      0.6425000    
 H   -4.177100      -2.659700     -0.6653000    
 H   -5.034700      -1.074000       1.816100    
 H   -5.581100     -0.8218000      0.1564000    
 H   0.7083000      -2.203800      0.3273000    
 H   0.1361000     -0.5763000     -2.7200000E-02
 H   0.1382000      -1.048300      -2.463700    
 H   0.6656000      -2.693400      -2.170000    
 H    2.579800      -1.247500      -2.789400    
 H    2.180300     -0.1131000      -1.514600    
 H   -1.727000      0.6103000      -2.109300    
 H   -3.088000       3.031800       1.185600    
 H    3.934600      -3.848800     -0.6814000    
 H    2.177600      -3.892300     -0.9047000    
 H    3.253600      -3.518800      -2.289200    
 H   0.2423000       2.079100      -2.368300    
 H   -1.120200       4.501700      0.9088000    
 H   0.5479000       4.029400     -0.8657000    
 H    1.901300     -0.2476000       1.804500    
 H    5.316100      0.4960000     -0.7184000    
 H    1.744000       2.168200       2.293800    
 H    5.152600       2.910600     -0.2154000    
 H    3.368300       3.751700       1.289400    


%chk=000113956-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113956

0 1
O -4.351793 0.818990 -1.381948
O 3.953752 -1.852499 1.401100
N -3.669652 -0.302871 0.546518
N 2.983533 -1.793296 -0.715182
C -2.246283 -2.323406 0.989424
C -3.538197 -3.186538 0.988871
C -2.608103 -0.867635 1.412516
C -1.493682 -2.370557 -0.368173
C -4.657697 -2.555859 0.124414
C -4.924954 -1.094391 0.552850
C -0.071067 -1.765984 -0.321950
C 0.645347 -1.836245 -1.687553
C -3.488032 0.649198 -0.457089
C 2.047587 -1.175661 -1.685622
C -2.241548 1.502481 -0.430166
C -1.574500 1.732936 -1.660578
C -1.774182 2.150731 0.742373
C 3.197414 -3.246837 -0.845375
C 3.479250 -1.171088 0.431501
C -0.427215 2.553440 -1.708961
C -0.634487 2.983638 0.690359
C 3.516683 0.338622 0.490887
C 0.052145 3.174087 -0.530975
C 3.230806 0.964839 1.730537
C 3.971926 1.130578 -0.595463
C 3.362458 2.362383 1.872836
C 4.122877 2.527068 -0.447397
C 3.809047 3.148402 0.783796
H -1.561606 -2.720387 1.769265
H -3.309244 -4.210243 0.635443
H -3.904698 -3.283217 2.032381
H -2.978681 -0.877510 2.458529
H -1.717744 -0.225272 1.378547
H -2.086306 -1.847743 -1.145938
H -1.423107 -3.429347 -0.694123
H -5.592561 -3.139671 0.224642
H -4.379041 -2.571337 -0.945639
H -5.336963 -1.074113 1.582907
H -5.635015 -0.601953 -0.129900
H 0.530708 -2.295855 0.444539
H -0.117300 -0.704699 -0.007380
H 0.036563 -1.307614 -2.449102
H 0.717826 -2.889784 -2.024106
H 2.484277 -1.242749 -2.704043
H 1.935583 -0.108656 -1.435496
H -1.979612 1.276203 -2.569878
H -2.314585 2.024020 1.687584
H 4.083875 -3.527338 -0.256750
H 2.340022 -3.833054 -0.461107
H 3.351392 -3.498497 -1.910478
H 0.087919 2.716289 -2.662378
H -0.280978 3.480963 1.600234
H 0.949481 3.801388 -0.563490
H 2.930716 0.338655 2.577157
H 4.242734 0.650771 -1.542924
H 3.135036 2.836337 2.834284
H 4.496090 3.126052 -1.285681
H 3.929688 4.231640 0.899652


