%chk=000158937.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158937

0 1
 O   -3.637700      0.2788000       1.184400    
 O   -7.700800      0.8363000      0.7035000    
 O   -3.032500      -1.264400     -0.4195000    
 N   -6.951800      0.6676000     -0.4403000    
 C    3.624100     -0.8310000      0.1782000    
 C    4.678200      -1.615800     -0.6052000    
 C    2.208700      -1.259200     -0.2157000    
 C    6.116100      -1.294300     -0.1861000    
 C    1.152200     -0.4528000      0.5424000    
 C    6.582300      0.1452000     -0.4311000    
 C  -0.2634000     -0.8596000      0.1212000    
 C    8.044700      0.3848000     -4.7499999E-02
 C   -1.342200     -5.1300000E-02  0.8417000    
 C    8.481500       1.843300     -0.2088000    
 C   -5.521200      0.9326000     -0.1536000    
 C   -5.018900      2.7999999E-03  0.9301000    
 C   -2.747400     -0.4329000      0.4314000    
 C   -7.461500       1.620800      -1.492400    
 C   -7.135400     -0.7473000     -0.9298000    
 C    9.925200       2.096200      0.1970000    
 H    3.739800      0.2419000     -1.2100000E-02
 H    3.770100     -0.9890000       1.253500    
 H    4.561900      -1.418600      -1.677800    
 H    4.509500      -2.690100     -0.4606000    
 H    2.075100      -2.327700     -7.7000000E-03
 H    2.071600      -1.119900      -1.294900    
 H    6.237400      -1.532900      0.8781000    
 H    6.785000      -1.972600     -0.7311000    
 H    1.273200     -0.6068000       1.621400    
 H    1.296600      0.6170000      0.3491000    
 H    6.440800      0.3957000      -1.489400    
 H    5.953400      0.8333000      0.1455000    
 H  -0.3750000     -0.7277000     -0.9624000    
 H  -0.4133000      -1.928000      0.3215000    
 H    8.196500      8.1100002E-02  0.9958000    
 H    8.689200     -0.2567000     -0.6608000    
 H   -1.207100       1.014800      0.6267000    
 H   -1.249700     -0.2084000       1.922600    
 H    8.348500       2.147300      -1.253900    
 H    7.829100       2.486300      0.3941000    
 H   -5.439500       1.979400      0.1628000    
 H   -4.964100      0.8144000      -1.090000    
 H   -5.145600      -1.059800      0.7051000    
 H   -5.548300      0.1811000       1.872400    
 H   -8.525500       1.416700      -1.640600    
 H   -6.889000       1.449800      -2.407400    
 H   -7.316400       2.636100      -1.113600    
 H   -6.408900     -0.9349000      -1.724200    
 H   -8.157200     -0.8292000      -1.312900    
 H   -7.022300      -1.435500     -9.0000004E-02
 H    10.61130       1.497400     -0.4103000    
 H    10.08510       1.840300       1.249200    
 H    10.18000       3.151700      5.9700001E-02


%chk=000158937-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158937

0 1
O -3.719423 0.005781 1.162205
O -7.818756 0.445700 0.836521
O -3.031510 -1.071095 -0.790263
N -7.145326 0.629489 -0.414538
C 3.712189 -0.841760 0.297061
C 4.837783 -1.705988 -0.318240
C 2.297361 -1.320948 -0.098133
C 6.265781 -1.296788 0.119217
C 1.168428 -0.464474 0.518226
C 6.703008 0.105944 -0.364506
C -0.241836 -0.938339 0.104623
C 8.159280 0.452624 0.020470
C -1.355249 -0.088049 0.750279
C 8.601196 1.855172 -0.456186
C -5.628838 0.777038 -0.178448
C -5.139047 -0.289944 0.809437
C -2.745888 -0.455670 0.263756
C -7.661624 1.901959 -1.076371
C -7.428957 -0.561107 -1.327871
C 10.054196 2.196608 -0.060030
H 3.835823 0.214997 -0.014730
H 3.808893 -0.854471 1.403449
H 4.768181 -1.661573 -1.425671
H 4.663578 -2.765569 -0.038047
H 2.167738 -2.378259 0.214369
H 2.202874 -1.310942 -1.204216
H 6.335582 -1.339215 1.226696
H 6.989550 -2.044658 -0.266110
H 1.259148 -0.483350 1.624657
H 1.305816 0.594435 0.212872
H 6.592325 0.160536 -1.468314
H 6.027215 0.878395 0.055205
H -0.346942 -0.900384 -0.996136
H -0.377603 -1.999873 0.390526
H 8.272172 0.389318 1.123357
H 8.844091 -0.310799 -0.405241
H -1.195077 0.984684 0.514063
H -1.336178 -0.159728 1.853014
H 8.492293 1.915940 -1.558434
H 7.913053 2.616055 -0.034010
H -5.485174 1.772678 0.272294
H -5.094048 0.715247 -1.143303
H -5.192864 -1.308510 0.389748
H -5.711083 -0.214249 1.743319
H -8.737470 1.758064 -1.253053
H -7.130059 2.118841 -2.021847
H -7.523234 2.714117 -0.348445
H -6.926302 -0.455887 -2.306658
H -8.520757 -0.614267 -1.443789
H -7.083076 -1.465117 -0.808586
H 10.764839 1.467538 -0.493494
H 10.180218 2.172878 1.039062
H 10.346110 3.203274 -0.412057


