%chk=000064908.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064908

0 1
 O    2.497200       1.128400       1.499500    
 N    2.952400       2.191700     -0.5147000    
 N    4.309400       2.251600     -0.2732000    
 C  -0.1602000      0.4365000      0.5387000    
 C   0.6713000       1.614100     -2.3300000E-02
 C   0.4065000     -0.9253000      0.1500000    
 C   -1.647500      0.5264000      0.2132000    
 C   0.2199000      -1.990300       1.004800    
 C   -2.554400     -2.2000000E-02   1.094700    
 C    1.086600      -1.045200      -1.042600    
 C   -2.035500       1.152800     -0.9516000    
 C    2.125500       1.610300      0.4325000    
 C   0.7384000      -3.235600      0.6497000    
 C   -3.914600      5.9799999E-02  0.7968000    
 C    1.605100      -2.290500      -1.398000    
 C   -3.395800       1.234700      -1.249500    
 C    1.431000      -3.385600     -0.5518000    
 C   -4.335300      0.6882000     -0.3752000    
 H  -6.8000004E-02  0.5219000       1.633100    
 H   0.6450000       1.673800      -1.116000    
 H   0.2448000       2.559800      0.3395000    
 H  -0.3040000      -1.886300       1.949300    
 H   -2.243700     -0.5016000       2.017100    
 H    1.221500     -0.2319000      -1.744800    
 H   -1.341700       1.571400      -1.669800    
 H   0.6055000      -4.087800       1.309900    
 H   -4.646500     -0.3631000       1.478900    
 H    2.138900      -2.409500      -2.336400    
 H   -3.723900       1.719500      -2.164400    
 H    1.834100      -4.355300     -0.8288000    
 H   -5.394300      0.7515000     -0.6074000    
 H    2.605600       2.583500      -1.384400    
 H    4.767800       1.758300      -1.038100    
 H    4.583300       3.229000     -0.3646000    


%chk=000064908-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064908

0 1
O 2.220211 1.742781 1.733043
N 3.108895 1.815867 -0.409546
N 4.464298 1.865413 0.014672
C -0.199516 0.545697 0.441667
C 0.657143 1.693147 -0.171898
C 0.398465 -0.822516 0.067654
C -1.688099 0.646250 0.085414
C 1.288122 -1.477114 0.957581
C -2.623420 -0.085749 0.864424
C 0.113386 -1.431711 -1.181898
C -2.178870 1.420541 -0.995699
C 2.042159 1.747127 0.476550
C 1.883087 -2.710333 0.605491
C -4.003590 -0.044611 0.576557
C 0.709518 -2.662060 -1.536952
C -3.562320 1.464865 -1.289639
C 1.598232 -3.306483 -0.644339
C -4.480729 0.732922 -0.505818
H -0.102482 0.661000 1.539107
H 0.740185 1.578192 -1.269584
H 0.159994 2.661705 0.030892
H 1.518225 -1.011787 1.923545
H -2.260220 -0.694231 1.701980
H -0.595539 -0.951782 -1.867400
H -1.488536 2.002555 -1.616119
H 2.564593 -3.205536 1.306738
H -4.706719 -0.614357 1.194664
H 0.474930 -3.122786 -2.503555
H -3.920301 2.072405 -2.128841
H 2.056376 -4.263931 -0.917036
H -5.552411 0.768496 -0.731302
H 2.966583 1.758139 -1.418920
H 4.687161 1.036528 0.585316
H 4.635591 2.724558 0.556352


