%chk=000118409.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118409

0 1
 O   -3.250300       2.721000      0.2076000    
 O   -4.392500      -1.797200      0.4493000    
 N    2.442100      0.1230000     -0.9124000    
 N   -3.893300      0.4782000      0.2721000    
 C    3.541500      0.9984000     -0.5002000    
 C    3.521200       1.195900       1.021400    
 C    4.885600      0.4116000     -0.9515000    
 C    3.897600     -7.1800001E-02   1.789500    
 C    5.265000     -0.8581000     -0.1882000    
 C    5.237000     -0.6352000       1.321500    
 C    1.083200      0.4271000     -0.6522000    
 C   0.1250000     -0.5802000     -0.4633000    
 C   -1.222900     -0.2245000     -0.2060000    
 C   -1.567600       1.132900     -0.1449000    
 C   0.7223000       1.771200     -0.5882000    
 C   -2.169900      -1.240800     -1.7500000E-02
 C  -0.5992000       2.126800     -0.3350000    
 C   0.4842000      -1.935000     -0.5249000    
 C   -2.968100       1.527600      0.1228000    
 C   -3.582900     -0.8936000      0.2524000    
 C   -1.795000      -2.589000     -8.1299998E-02
 C  -0.4702000      -2.931700     -0.3349000    
 C   -5.292700      0.8436000      0.4637000    
 H    3.442300       1.968800     -0.9995000    
 H    2.554200       1.556800       1.385000    
 H    4.247100       1.979700       1.276200    
 H    5.671700       1.162500     -0.7998000    
 H    4.860700      0.1921000      -2.025900    
 H    3.116200     -0.8305000       1.662200    
 H    3.950000      0.1514000       2.861200    
 H    6.268000      -1.179800     -0.4913000    
 H    4.581800      -1.674500     -0.4501000    
 H    6.039500      5.8899999E-02   1.600300    
 H    5.440300      -1.580200       1.837800    
 H    2.673800     -0.8050000      -1.240100    
 H    1.430900       2.577200     -0.7484000    
 H  -0.8560000       3.181900     -0.2946000    
 H    1.501600      -2.267200     -0.7073000    
 H   -2.519600      -3.385800      6.3199997E-02
 H  -0.1800000      -3.977400     -0.3820000    
 H   -5.460600      0.9838000       1.536000    
 H   -5.959400      5.6899998E-02  9.9399999E-02
 H   -5.524400       1.778400     -5.5100001E-02


%chk=000118409-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118409

0 1
O -3.474630 2.748479 0.185939
O -4.774162 -1.729691 -0.108063
N 2.387659 -0.012859 -0.351608
N -4.108090 0.496900 0.031300
C 3.534309 0.921564 -0.362333
C 3.951188 1.357726 1.072869
C 4.728225 0.261034 -1.098060
C 4.578386 0.194623 1.877802
C 5.362829 -0.900748 -0.292377
C 5.774002 -0.437340 1.125424
C 1.060140 0.344956 -0.214400
C 0.020494 -0.683890 -0.237000
C -1.362841 -0.280315 -0.141504
C -1.713553 1.102129 -0.015952
C 0.670040 1.703633 -0.065752
C -2.392196 -1.277282 -0.172630
C -0.688365 2.065861 0.023821
C 0.310369 -2.078398 -0.349622
C -3.120233 1.533831 0.075578
C -3.826034 -0.884796 -0.083836
C -2.069461 -2.638266 -0.287675
C -0.711620 -3.039680 -0.373807
C -5.535664 0.879473 0.113491
H 3.229456 1.818553 -0.937581
H 3.074642 1.765455 1.610091
H 4.687774 2.182007 0.979388
H 5.497991 1.040735 -1.258942
H 4.405053 -0.082096 -2.099944
H 3.807262 -0.579713 2.067452
H 4.903219 0.562974 2.869238
H 6.240067 -1.292067 -0.841281
H 4.653570 -1.752177 -0.206656
H 6.588121 0.311849 1.038566
H 6.182868 -1.288520 1.702475
H 2.612431 -0.999582 -0.469537
H 1.428325 2.489141 -0.025676
H -0.976991 3.117219 0.127313
H 1.345048 -2.436455 -0.414174
H -2.886822 -3.366233 -0.306727
H -0.460351 -4.101660 -0.458733
H -6.000883 0.412792 0.997506
H -6.071529 0.523727 -0.781924
H -5.581842 1.975308 0.184543


