%chk=000006770.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006770

0 1
 O   -4.706400       1.294200      0.3396000    
 O    4.806500      -2.031700      0.4705000    
 O   -5.975600     -0.7099000     -7.0200004E-02
 O    5.937000     -5.2299999E-02 -0.3078000    
 N  -0.3334000       1.378500     -0.1312000    
 C   0.3279000      0.1677000      0.4140000    
 C  -0.3642000      -1.062900     -0.2239000    
 C    1.840300      0.1423000      0.1900000    
 C   0.4049000       2.596000      0.2138000    
 C   -1.723200       1.469100      0.3496000    
 C    1.755200       2.582900     -0.4968000    
 C   -1.872400      -1.000500     -0.1752000    
 C   -2.518900      0.2236000      6.9100000E-02
 C    2.522300       1.315500     -0.2277000    
 C    2.584800      -1.020200      0.4638000    
 C   -3.904600      0.2197000      9.4700001E-02
 C    3.912400       1.303300     -0.4310000    
 C   -2.629500      -2.166700     -0.4224000    
 C    3.950700     -0.9933000      0.2649000    
 C    4.595900      0.1349000     -0.1756000    
 C   -4.633300     -0.9250000     -0.1369000    
 C   -4.025200      -2.133400     -0.4019000    
 C   -6.014300      0.6985000      0.2324000    
 C    6.063100      -1.430200      9.8099999E-02
 H   0.1806000      0.1424000       1.504500    
 H  -4.8400000E-02  -1.975100      0.2964000    
 H  -6.3900001E-02  -1.161300      -1.276100    
 H   0.5395000       2.681300       1.300500    
 H  -0.1437000       3.486200     -0.1178000    
 H   -2.210300       2.311100     -0.1577000    
 H   -1.751100       1.661500       1.430300    
 H    2.336600       3.449700     -0.1601000    
 H    1.611100       2.678000      -1.580500    
 H    2.111800      -1.925100      0.8293000    
 H    4.436700       2.190200     -0.7716000    
 H   -2.125200      -3.107600     -0.6299000    
 H   -4.604600      -3.030800     -0.5871000    
 H   -6.570600       1.212800     -0.5597000    
 H   -6.543200      0.8394000       1.182000    
 H    6.494600      -2.002700     -0.7311000    
 H    6.744900      -1.482900      0.9546000    


%chk=000006770-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006770

0 1
O -4.765837 1.247538 0.545099
O 4.875675 -2.017616 0.687031
O -6.036521 -0.745436 0.146238
O 6.026258 -0.081949 -0.141250
N -0.338413 1.408459 -0.090082
C 0.315556 0.157690 0.379311
C -0.340864 -1.017758 -0.394551
C 1.837329 0.180720 0.200317
C 0.426427 2.637764 0.200753
C -1.738489 1.494003 0.371535
C 1.747487 2.604712 -0.582188
C -1.857055 -1.003264 -0.262684
C -2.508892 0.219237 0.085623
C 2.523072 1.333828 -0.269830
C 2.566885 -0.997871 0.546695
C -3.903254 0.174455 0.177054
C 3.941678 1.322646 -0.427436
C -2.615022 -2.179661 -0.487718
C 3.947994 -0.985995 0.375676
C 4.625175 0.151793 -0.110177
C -4.649961 -0.994434 -0.057844
C -4.032673 -2.202079 -0.390518
C -6.136323 0.728837 0.290309
C 6.174753 -1.532195 0.152200
H 0.107816 0.003937 1.473903
H 0.053420 -1.985700 -0.033622
H -0.046140 -0.919288 -1.457325
H 0.633680 2.758967 1.295162
H -0.183815 3.503769 -0.116933
H -2.228502 2.346399 -0.136163
H -1.799802 1.708072 1.472921
H 2.359630 3.493100 -0.335015
H 1.513589 2.654515 -1.663536
H 2.062970 -1.884172 0.942377
H 4.472894 2.212099 -0.778611
H -2.089502 -3.105370 -0.748783
H -4.610139 -3.113675 -0.561676
H -6.513108 1.160780 -0.657327
H -6.774831 0.963350 1.155316
H 6.400697 -2.068541 -0.789512
H 6.950959 -1.664469 0.921159


