%chk=000060644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060644

0 1
 O   -4.208200      -1.221200     -0.9265000    
 O    4.208300      -1.220700      0.9276000    
 N   -8.976000       1.329800      0.4131000    
 N    8.975800       1.329700     -0.4141000    
 C  -0.6768000      -1.243200      0.3562000    
 C   0.6771000      -1.244300     -0.3555000    
 C   -1.830600      -1.260800     -0.6441000    
 C    1.830700      -1.260700      0.6449000    
 C   -3.181600      -1.217900      5.6000002E-02
 C    3.181900      -1.218700     -5.4900002E-02
 C   -5.381600     -0.5938000     -0.5971000    
 C    5.381600     -0.5935000      0.5977000    
 C   -7.769100      0.6837000      7.3899999E-02
 C    7.769000      0.6837000     -7.4400000E-02
 C   -6.158900     -1.0000000E-03  -1.592200    
 C    6.158700      6.9999998E-04   1.592200    
 C   -5.798000     -0.5480000      0.7334000    
 C    5.798300     -0.5492000     -0.7328000    
 C   -7.352700      0.6377000      -1.256700    
 C    7.352400      0.6392000       1.256100    
 C   -6.991700      9.0800002E-02   1.068800    
 C    6.991900      8.9400001E-02  -1.068700    
 C   -9.417300       1.383400       1.792600    
 C   -9.783700       1.961000     -0.6117000    
 C    9.417300       1.381700      -1.793700    
 C    9.783200       1.962300      0.6100000    
 H  -0.7489000      -2.118400       1.013300    
 H  -0.7534000     -0.3536000      0.9931000    
 H   0.7542000     -0.3559000     -0.9940000    
 H   0.7486000      -2.120700      -1.011000    
 H   -1.774500      -2.157400      -1.273900    
 H   -1.751000     -0.4075000      -1.329500    
 H    1.774400      -2.156500       1.275900    
 H    1.751100     -0.4066000       1.329200    
 H   -3.212100     -0.3082000      0.6700000    
 H   -3.298800      -2.096400      0.7009000    
 H    3.212500     -0.3100000     -0.6702000    
 H    3.299100      -2.098100     -0.6987000    
 H   -5.838600     -3.4000002E-02  -2.630000    
 H    5.838200     -3.1099999E-02   2.629900    
 H   -5.236400      -1.020800       1.533600    
 H    5.236800      -1.023000      -1.532600    
 H   -7.921400       1.083200      -2.066800    
 H    7.920800       1.085700       2.065900    
 H   -7.275400      9.4599999E-02   2.116600    
 H    7.275800      9.2000000E-02  -2.116500    
 H   -10.37060       1.914400       1.892400    
 H   -8.695200       1.919200       2.418700    
 H   -9.578600      0.3776000       2.196200    
 H   -10.68450       2.421500     -0.1906000    
 H   -10.12580       1.229700      -1.352400    
 H   -9.230500       2.762100      -1.114300    
 H    10.37050       1.912800      -1.893900    
 H    8.695200       1.916800      -2.420500    
 H    9.578800      0.3754000      -2.196100    
 H    10.68400       2.422500      0.1885000    
 H    10.12550       1.231900       1.351700    
 H    9.229800       2.763900       1.111600    


%chk=000060644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060644

0 1
O -4.260724 0.081912 -0.976863
O 4.260653 0.082304 0.976613
N -9.774078 0.160793 0.410489
N 9.774091 0.160610 -0.410442
C -0.687660 0.043977 0.351958
C 0.687631 0.043677 -0.352307
C -1.868308 0.055377 -0.645098
C 1.868261 0.055671 0.644764
C -3.224513 0.053595 0.064591
C 3.224492 0.053282 -0.064874
C -5.607061 0.097407 -0.548262
C 5.607014 0.097574 0.548082
C -8.403856 0.138808 0.096928
C 8.403849 0.138731 -0.096958
C -6.581586 0.139350 -1.573054
C 6.581471 0.140354 1.572905
C -6.029809 0.074534 0.801199
C 6.029853 0.073725 -0.801334
C -7.951862 0.159792 -1.262232
C 7.951764 0.160684 1.262156
C -7.406517 0.094885 1.116806
C 7.406580 0.093960 -1.116868
C -10.199663 0.135601 1.811283
C -10.770071 0.219393 -0.661820
C 10.199775 0.134454 -1.811188
C 10.770000 0.220182 0.661892
H -0.760366 -0.848175 1.008366
H -0.753934 0.928963 1.018695
H 0.753982 0.928197 -1.019654
H 0.760272 -0.848935 -1.008096
H -1.812942 -0.827412 -1.310937
H -1.808136 0.950514 -1.293815
H 1.812800 -0.826646 1.311219
H 1.808149 0.951267 1.292853
H -3.326832 0.944116 0.722002
H -3.342244 -0.858128 0.689491
H 3.326894 0.943313 -0.722936
H 3.342199 -0.858908 -0.689097
H -6.246094 0.156057 -2.615120
H 6.245909 0.157813 2.614936
H -5.305153 0.040822 1.620757
H 5.305254 0.039331 -1.620913
H -8.672011 0.192122 -2.084563
H 8.671856 0.193696 2.084509
H -7.695276 0.076371 2.171577
H 7.695409 0.074685 -2.171606
H -11.300159 0.154998 1.862099
H -9.818259 1.011367 2.378349
H -9.852209 -0.780361 2.334560
H -11.780751 0.241888 -0.223276
H -10.712884 -0.662967 -1.333856
H -10.653407 1.128364 -1.289003
H 11.300273 0.153920 -1.861942
H 9.818328 1.009775 -2.378911
H 9.852446 -0.781919 -2.333826
H 11.780709 0.242460 0.223403
H 10.712877 -0.661654 1.334621
H 10.653172 1.129633 1.288349


