%chk=000055187.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055187

0 1
 O   0.3514000      -1.182800       2.259400    
 O  -0.8938000      -4.809500       1.907100    
 O   0.9326000      -4.349400      0.6232000    
 O   -1.886100       2.666600       2.754600    
 O   0.2776000       3.149200       3.228500    
 N  -0.1168000      -1.885000      0.1042000    
 N    1.055700       1.222500       1.418600    
 N    7.051500       1.019100      -1.870800    
 C   -1.035800      -2.953700      0.4733000    
 C   -1.752900      -3.312800     -0.8230000    
 C  -2.5100000E-02  -1.746700      -1.346900    
 C  -0.7253000      -2.978000      -1.901400    
 C    1.234500      0.1231000      0.4752000    
 C   0.4501000      -1.034000       1.040200    
 C    2.717800     -0.2269000      0.3181000    
 C  -0.2314000       1.872000       1.219000    
 C    3.429700      0.7126000     -0.6637000    
 C  -0.2063000      -4.093000      0.9845000    
 C  -0.1332000       2.834200      2.6799999E-02
 C    4.922400      0.4053000     -0.8251000    
 C   -1.487600       3.316500     -0.5155000    
 C  -0.5535000       2.619600       2.500900    
 C    5.635500       1.360000      -1.782200    
 C   -2.361300       2.223000      -1.079400    
 C   -2.269400       1.883300      -2.429300    
 C   -3.260400       1.551400     -0.2510000    
 C   -3.076600      0.8723000      -2.950700    
 C   -4.067600      0.5404000     -0.7725000    
 C   -3.975700      0.2008000      -2.122300    
 H   -1.712600      -2.601000       1.258900    
 H   -2.078700      -4.356200     -0.8717000    
 H   -2.633000      -2.671000     -0.9499000    
 H  -0.5622000     -0.8378000      -1.637300    
 H    1.015700      -1.673400      -1.672600    
 H   -1.179300      -2.797800      -2.879900    
 H  -1.0800000E-02  -3.803000      -2.005800    
 H   0.8511000      0.3954000     -0.5091000    
 H    3.223500     -0.2034000       1.292600    
 H    2.822700      -1.257500     -4.4500001E-02
 H    1.805200       1.906100       1.320600    
 H   -1.006300       1.112500       1.087900    
 H    3.319400       1.750600     -0.3282000    
 H    2.944700      0.6443000      -1.645500    
 H   0.4441000       3.721800      0.3207000    
 H   0.4117000       2.389700     -0.8137000    
 H    5.035300     -0.6264000      -1.182400    
 H    5.402300      0.4526000      0.1611000    
 H   -2.036800       3.854800      0.2671000    
 H   -1.306200       4.063900      -1.299200    
 H    5.536800       2.391200      -1.427000    
 H    5.183000       1.304100      -2.778200    
 H  -0.3678000      -5.561700       2.253200    
 H    7.154300      6.9799997E-02  -2.227300    
 H    7.503700       1.629700      -2.549900    
 H   -1.570500       2.396900      -3.083900    
 H   -3.360100       1.811700      0.7975000    
 H   -2.084900       3.162300       3.577400    
 H   -3.003700      0.6064000      -4.001200    
 H   -4.769500      1.8999999E-02 -0.1283000    
 H   -4.603200     -0.5873000      -2.527800    


%chk=000055187-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055187

0 1
O 0.205462 -1.035870 2.114807
O -0.752214 -4.844414 1.968190
O 1.115994 -4.237429 0.725134
O -1.604840 3.338477 2.693225
O 0.545860 2.850066 3.407551
N -0.240622 -1.806620 -0.020208
N 1.136368 1.453912 1.088744
N 7.267067 0.814102 -1.694850
C -1.009318 -2.951461 0.503373
C -1.782963 -3.459385 -0.748438
C -0.189447 -1.782331 -1.509344
C -0.811717 -3.141350 -1.913870
C 1.185939 0.248020 0.248630
C 0.340442 -0.909814 0.853395
C 2.655679 -0.232029 0.087344
C -0.186594 2.108587 1.156180
C 3.517433 0.743060 -0.742191
C -0.071059 -4.033328 1.053588
C -0.350998 3.129748 -0.017365
C 5.001862 0.321551 -0.798864
C -1.816811 3.454991 -0.423064
C -0.326587 2.780613 2.516847
C 5.857577 1.256579 -1.677555
C -2.546759 2.264709 -1.032550
C -2.318890 1.892961 -2.384838
C -3.457405 1.489335 -0.267457
C -2.981986 0.784208 -2.957966
C -4.121628 0.376883 -0.834581
C -3.887143 0.019936 -2.183043
H -1.673831 -2.637687 1.324252
H -2.050087 -4.526123 -0.676165
H -2.712813 -2.870844 -0.847535
H -0.788563 -0.936675 -1.899703
H 0.848839 -1.680678 -1.870889
H -1.322076 -3.085860 -2.889657
H -0.024120 -3.912777 -1.974180
H 0.789658 0.505697 -0.753950
H 3.090282 -0.359002 1.099241
H 2.664463 -1.237139 -0.379660
H 1.513077 1.272540 2.031062
H -1.024159 1.373570 1.096493
H 3.424028 1.755286 -0.304334
H 3.109862 0.803945 -1.774635
H 0.187299 4.061970 0.237247
H 0.180389 2.693814 -0.884523
H 5.079276 -0.716547 -1.189367
H 5.436221 0.307910 0.219173
H -2.362858 3.826357 0.460833
H -1.781240 4.281229 -1.159580
H 5.825329 2.277926 -1.250932
H 5.389105 1.318112 -2.692730
H -0.134842 -5.545550 2.312205
H 7.396100 -0.138700 -2.050917
H 7.917885 1.475922 -2.128279
H -1.630419 2.490147 -2.996827
H -3.651955 1.770000 0.775012
H -1.649293 3.752111 3.598224
H -2.806959 0.526210 -4.009086
H -4.828394 -0.201731 -0.228453
H -4.415008 -0.830738 -2.629762


