%chk=000030963.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030963

0 1
 O    5.829400       1.021300     -0.5156000    
 O   0.2366000     -0.3316000       1.522200    
 N    2.692700     -0.7214000      0.3268000    
 N  -0.6352000      0.3114000     -0.5607000    
 C    1.736800      0.1961000     -0.2923000    
 C    4.027400     -0.5270000     -0.2385000    
 C    2.259400      -2.106900      0.1499000    
 C   -2.033700      0.2660000     -0.3478000    
 C   0.3739000      1.7899999E-02  0.3542000    
 C    4.526100      0.8829000      3.5000000E-02
 C   -2.723600     -0.9107000     -0.5978000    
 C   -2.690300       1.400000      0.1065000    
 C    3.241600      -3.074900      0.7876000    
 C   -4.774600      0.1789000      6.8499997E-02
 C   -4.102000     -0.9545000     -0.3886000    
 C   -4.068700       1.356200      0.3159000    
 C   -2.031500      -2.141600      -1.087200    
 C   -1.961800       2.676200      0.3805000    
 C   -6.248100      0.1324000      0.2922000    
 C    6.345600       2.329400     -0.3109000    
 H    1.678300      3.9600000E-02  -1.376700    
 H    1.976500       1.247000     -0.1051000    
 H    4.049800     -0.7312000      -1.317500    
 H    4.768700      -1.193700      0.2148000    
 H    1.293000      -2.296700      0.6267000    
 H    2.143700      -2.359600     -0.9123000    
 H    3.901000       1.642000     -0.4426000    
 H    4.562300       1.075800       1.114100    
 H  -0.3649000      0.7636000      -1.431500    
 H    2.779500      -4.066200      0.8621000    
 H    3.515200      -2.768900       1.803300    
 H    4.151100      -3.205200      0.1932000    
 H   -4.656500      -1.870800     -0.5775000    
 H   -4.597300       2.236300      0.6745000    
 H   -2.741300      -2.939400      -1.331500    
 H   -1.352900      -2.527600     -0.3195000    
 H   -1.462600      -1.928400      -1.998400    
 H   -1.261100       2.544600       1.211500    
 H   -2.646500       3.486600      0.6532000    
 H   -1.412300       3.004800     -0.5080000    
 H   -6.706400       1.110800      0.1121000    
 H   -6.729800     -0.5764000     -0.3899000    
 H   -6.462300     -0.1713000       1.321700    
 H    6.414600       2.552500      0.7582000    
 H    7.349600       2.373900     -0.7415000    
 H    5.719000       3.073500     -0.8121000    


%chk=000030963-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030963

0 1
O 5.366396 0.461326 1.234501
O 0.738906 1.425520 0.695478
N 2.651397 -0.265971 -1.228879
N -0.542288 0.491224 -1.034017
C 1.850716 0.949884 -1.451802
C 4.006256 -0.054446 -0.686175
C 2.469079 -1.384205 -2.175494
C -1.803584 0.344872 -0.355811
C 0.638421 0.999682 -0.492603
C 3.978566 0.205832 0.828583
C -1.905645 -0.418066 0.842669
C -2.954807 0.943355 -0.947124
C 2.552153 -2.768789 -1.500572
C -4.339401 0.060756 0.898664
C -3.180289 -0.534446 1.449681
C -4.206594 0.784518 -0.311683
C -0.708314 -1.117358 1.450922
C -2.838161 1.745642 -2.231894
C -5.685397 -0.059375 1.592489
C 5.472898 0.784103 2.654036
H 1.520075 1.026419 -2.512574
H 2.461238 1.845308 -1.231660
H 4.527363 0.798870 -1.179323
H 4.617855 -0.954439 -0.875182
H 1.466487 -1.279844 -2.632953
H 3.207161 -1.337549 -3.014688
H 3.328540 1.074577 1.067830
H 3.568625 -0.681797 1.358909
H -0.538414 0.310459 -2.041376
H 2.400539 -3.573966 -2.244059
H 1.780988 -2.857342 -0.714963
H 3.538217 -2.928646 -1.028438
H -3.266611 -1.119698 2.373980
H -5.093676 1.246160 -0.763403
H -1.027659 -1.891704 2.169277
H -0.059054 -0.389607 1.971550
H -0.080130 -1.592640 0.674641
H -2.058391 2.525706 -2.150024
H -3.793526 2.241282 -2.472096
H -2.575506 1.110052 -3.102570
H -6.520036 -0.016085 0.870517
H -5.768307 -1.006147 2.155027
H -5.834118 0.765574 2.316487
H 5.119437 -0.054893 3.291800
H 6.540666 0.969092 2.853804
H 4.886329 1.692500 2.909717


