%chk=000056558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056558

0 1
 O    2.015800     -0.7479000      0.4216000    
 O   -3.151700      0.2614000     -0.1498000    
 O   -1.315800      0.1483000       3.044300    
 N  -0.7393000     -0.3426000      0.7840000    
 N   -2.604500       2.412000     -0.8263000    
 C  -0.2341000      -1.400700     -9.5100001E-02
 C    3.293500       1.280700      0.3509000    
 C  -0.8941000      0.9720000      0.2300000    
 C    1.113800      -1.540100     -0.2241000    
 C    2.911900      7.4000000E-03 -0.3907000    
 C    4.242700       2.148400     -0.4705000    
 C   -1.163500      -2.173500     -0.7241000    
 C   -2.318900       1.165500     -0.2582000    
 C    1.579400      -2.551600      -1.064300    
 C  -0.9676000     -0.6407000       2.162200    
 C    4.587100       3.438900      0.2555000    
 C  -0.6977000      -3.184700      -1.564400    
 C   0.6736000      -3.373800      -1.734500    
 C  -0.8001000      -2.094500       2.541000    
 C   -1.602900       3.464500     -0.9433000    
 C   -3.927700       2.751100      -1.344300    
 H    2.382900       1.842100      0.5960000    
 H    3.752000       1.019500       1.312900    
 H  -0.1896000       1.108700     -0.5968000    
 H  -0.6902000       1.700500       1.021800    
 H    2.442900      0.2664000      -1.348800    
 H    3.804600     -0.5969000     -0.5883000    
 H    3.783600       2.392900      -1.435500    
 H    5.165100       1.594900     -0.6809000    
 H   -2.230600      -2.045700     -0.5874000    
 H    2.644700      -2.717600      -1.200100    
 H    5.268800       4.044300     -0.3501000    
 H    5.075800       3.231800       1.212900    
 H    3.687600       4.031800      0.4498000    
 H   -1.402900      -3.827600      -2.083000    
 H    1.036000      -4.163200      -2.386400    
 H   0.2222000      -2.434500       2.360300    
 H   -1.519300      -2.720800       2.008200    
 H  -0.9959000      -2.208100       3.612700    
 H  -0.6316000       3.226200     -0.5133000    
 H   -1.984000       4.359900     -0.4421000    
 H   -1.462300       3.686300      -2.005900    
 H   -3.838800       2.999500      -2.405600    
 H   -4.313200       3.613000     -0.7925000    
 H   -4.620200       1.913400      -1.229100    


%chk=000056558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056558

0 1
O 1.914446 -0.101451 -0.113829
O -3.673852 -0.169921 -1.116015
O -1.298392 1.694408 1.598302
N -0.857630 0.199070 -0.112686
N -3.865534 2.103133 -0.642192
C -0.253460 -1.000024 -0.643921
C 3.939292 1.111539 0.416016
C -1.589252 1.103054 -1.033485
C 1.166973 -1.155362 -0.660297
C 3.387496 -0.181094 -0.188611
C 5.485654 1.147858 0.391705
C -1.069147 -1.997387 -1.224874
C -3.126284 0.965489 -0.905617
C 1.739878 -2.323757 -1.220899
C -0.802203 0.580090 1.229333
C 6.049940 2.451564 0.995842
C -0.494336 -3.155063 -1.795591
C 0.907998 -3.317923 -1.783546
C -0.161416 -0.381960 2.215226
C -3.281966 3.396577 -0.223096
C -5.337679 2.011400 -0.667434
H 3.532005 1.973450 -0.146043
H 3.576949 1.208759 1.457566
H -1.335203 0.803315 -2.064206
H -1.242744 2.134472 -0.866478
H 3.697710 -0.290167 -1.248856
H 3.741733 -1.068284 0.377346
H 5.842487 1.039558 -0.652981
H 5.886099 0.278080 0.951682
H -2.152742 -1.826214 -1.225809
H 2.825042 -2.459524 -1.234569
H 7.154746 2.460722 0.972580
H 5.731970 2.570271 2.048385
H 5.691498 3.335304 0.435772
H -1.138045 -3.920859 -2.240147
H 1.363597 -4.215208 -2.217219
H 0.938172 -0.311919 2.143865
H -0.449938 -1.428444 2.017865
H -0.474861 -0.091795 3.229113
H -2.936335 3.996539 -1.087581
H -2.453247 3.220920 0.483397
H -4.061087 3.975838 0.300780
H -5.757066 2.793694 -1.327294
H -5.755179 2.142396 0.349351
H -5.618591 1.015758 -1.042151


