%chk=000003737.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003737

0 1
 I   0.1226000      -3.205700     -0.7012000    
 I   -3.163800       1.869500      0.1536000    
 I    2.920400       2.199000     -0.2388000    
 O   -3.041200      -1.470600      -1.342500    
 O  -0.1076000       3.475900       1.405200    
 O  -0.2757000       3.943200     -0.8128000    
 O    3.085900      -1.492800       1.611600    
 N    2.436500     -0.9667000     -0.5912000    
 N   -2.866700      -1.774800      0.9496000    
 C   -1.213300     -0.4689000     -0.2685000    
 C    1.194000     -0.3375000     -0.4261000    
 C   2.2299999E-02  -1.094400     -0.4345000    
 C  -0.1056000       1.670400     -8.5400000E-02
 C   -1.277200      0.9135000     -9.3800001E-02
 C    1.130000       1.044900     -0.2517000    
 C   -2.442700      -1.263500     -0.2776000    
 C  -0.1722000       3.121300      9.6299998E-02
 C    3.274400      -1.484200      0.3994000    
 C   -4.046200      -2.596400       1.099900    
 C    4.526300      -2.082300     -0.1916000    
 H    2.692100      -1.145000      -1.560000    
 H   -2.308000      -1.591800       1.778300    
 H   -3.746400      -3.644100       1.019300    
 H   -4.779800      -2.363000      0.3245000    
 H   -4.473300      -2.410700       2.088000    
 H    4.273500      -2.999500     -0.7305000    
 H    5.235200      -2.318900      0.6066000    
 H    4.996200      -1.372500     -0.8786000    
 H  -0.1530000       4.448700       1.523500    


%chk=000003737-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003737

0 1
I 0.104380 -3.101848 -0.978238
I -3.170593 1.943801 0.344244
I 2.936474 2.322879 -0.355501
O -3.262515 -1.312655 -1.242196
O -0.080214 3.681278 1.356976
O -0.324197 4.098264 -0.919815
O 2.498307 -1.990155 1.381665
N 2.497753 -0.876187 -0.671765
N -2.749487 -1.880635 0.968560
C -1.230022 -0.408502 -0.229838
C 1.229085 -0.254572 -0.496983
C 0.025332 -1.012681 -0.487769
C -0.111847 1.791104 -0.109643
C -1.281344 0.994623 -0.043064
C 1.132855 1.152682 -0.319183
C -2.508870 -1.240033 -0.228268
C -0.189470 3.292679 0.022497
C 3.082688 -1.708824 0.301865
C -3.910305 -2.755122 1.172529
C 4.449102 -2.259524 -0.084585
H 3.068972 -0.587775 -1.469650
H -2.064438 -1.779125 1.720462
H -3.595872 -3.804657 1.322320
H -4.537459 -2.696988 0.268957
H -4.501597 -2.425768 2.045511
H 4.319640 -3.237527 -0.584286
H 5.038385 -2.422482 0.830539
H 5.008030 -1.593728 -0.765664
H -0.136074 4.674578 1.421323