%chk=000112460.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112460

0 1
 O   0.2234000       1.353400     -8.6800002E-02
 O   9.8399997E-02 -0.9780000      5.7599999E-02
 N   -9.554100     -0.1238000      1.8999999E-02
 C    6.372100     -0.4778000     -2.6600000E-02
 C    7.900300     -0.5592000      4.2599998E-02
 C    5.851500      0.9615000     -0.1097000    
 C    8.373000      -2.009500      0.1504000    
 C    4.347100       1.066600     -0.1037000    
 C    9.887100      -2.095100      0.2584000    
 C    3.658400       1.041100      -1.306700    
 C    3.678200       1.187100       1.104700    
 C    2.267000       1.138400      -1.301200    
 C    2.286800       1.284400       1.110300    
 C    1.581100       1.260200     -9.2600003E-02
 C  -0.4336000      0.1195000     -5.4000001E-03
 C   -4.209600     -0.5519000      4.3400001E-02
 C   -1.894400      0.3683000     -8.2000000E-03
 C   -2.740900     -0.6696000      4.9899999E-02
 C   -4.795200      0.6550000      0.3897000    
 C   -4.976600      -1.650500     -0.3090000    
 C   -6.185600      0.7664000      0.3834000    
 C   -6.367100      -1.539200     -0.3152000    
 C   -6.971500     -0.3307000      3.0999999E-02
 C   -8.395900     -0.2166000      2.4400000E-02
 H    6.015500      -1.045000     -0.8959000    
 H    5.945900     -0.9668000      0.8589000    
 H    8.333400     -9.3599997E-02 -0.8508000    
 H    8.256700      9.7000003E-03  0.9098000    
 H    6.254100       1.546800      0.7278000    
 H    6.245700       1.442800      -1.014500    
 H    7.924200      -2.483600       1.031000    
 H    8.040900      -2.575500     -0.7277000    
 H    10.36840      -1.656400     -0.6215000    
 H    10.20340      -3.140300      0.3330000    
 H    10.24770      -1.566900       1.146900    
 H    4.183500      0.9446000      -2.252600    
 H    4.218800       1.204800       2.046700    
 H    1.723400       1.118500      -2.241900    
 H    1.758700       1.378700       2.055400    
 H   -2.356000      -1.686000      9.5299996E-02
 H   -2.214000       1.400900     -8.1799999E-02
 H   -4.224500       1.527600      0.6913000    
 H   -4.520400      -2.598200     -0.5825000    
 H   -6.642900       1.713500      0.6602000    
 H   -6.966300      -2.403200     -0.5926000    


%chk=000112460-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112460

0 1
O 0.222155 0.421522 0.099979
O -0.529387 -0.475679 -1.959340
N -9.825730 -0.064722 1.328898
C 6.666725 -0.466650 0.213133
C 8.206680 -0.398312 0.115374
C 5.965464 0.739985 -0.472972
C 8.913061 -1.586677 0.807423
C 4.449682 0.670347 -0.376980
C 10.451740 -1.518303 0.697009
C 3.668487 0.139380 -1.433071
C 3.774928 1.098664 0.797791
C 2.262156 0.025822 -1.346976
C 2.375707 0.997637 0.911440
C 1.626383 0.461160 -0.160482
C -0.760077 -0.038577 -0.805653
C -4.595352 -0.221015 -0.329988
C -2.081100 0.087665 -0.158060
C -3.216048 -0.283734 -0.826633
C -4.937311 0.249669 0.972959
C -5.649137 -0.649958 -1.188902
C -6.273448 0.290119 1.398383
C -6.991257 -0.613770 -0.773692
C -7.316582 -0.141716 0.527886
C -8.686674 -0.099998 0.964524
H 6.303515 -1.406983 -0.248435
H 6.361793 -0.505443 1.278757
H 8.506833 -0.366815 -0.953205
H 8.563470 0.551977 0.565736
H 6.334170 1.673312 -0.002523
H 6.276723 0.773198 -1.535279
H 8.618421 -1.613214 1.876334
H 8.550368 -2.535332 0.361934
H 10.773649 -1.522411 -0.361602
H 10.932651 -2.377599 1.199491
H 10.841987 -0.593151 1.161890
H 4.165955 -0.193275 -2.352226
H 4.352008 1.520973 1.629261
H 1.678329 -0.381151 -2.172619
H 1.849180 1.329824 1.811291
H -3.077692 -0.670104 -1.847043
H -2.084472 0.487506 0.860138
H -4.152098 0.585706 1.657568
H -5.404035 -1.014166 -2.193187
H -6.525815 0.652530 2.399677
H -7.789905 -0.945840 -1.443810


