%chk=000074358.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074358

0 1
 O    1.530000      -2.306000       2.736300    
 O    1.327100       3.245000      -1.569000    
 O  -0.4059000      -1.353000       2.332600    
 O  -0.5482000       2.529500     -0.6800000    
 O    5.552300     -0.6536000      0.7331000    
 O    5.489300       1.080100     -0.6120000    
 N   -1.618200      3.3199999E-02  2.7200000E-02
 N  -0.6518000      0.5981000      0.8485000    
 N   0.8346000      -1.429100       2.172900    
 N   0.6925000       2.450700     -0.8365000    
 N    4.919000      0.2512000      0.1375000    
 C   0.7424000      0.5117000      0.6707000    
 C   -1.125700     -0.8760000     -0.9964000    
 C   -2.976000      0.2971000      0.3029000    
 C    1.476500     -0.4858000       1.321700    
 C    1.406300       1.422300     -0.1587000    
 C    2.857600     -0.5716000       1.145400    
 C    2.787300       1.336400     -0.3348000    
 C    3.513100      0.3394000      0.3172000    
 C  -0.8906000     -0.3772000      -2.254100    
 C   -3.937100     -0.6889000      8.0300003E-02
 C  -0.9178000      -2.190300     -0.6574000    
 C   -3.357600       1.543600      0.7988000    
 C  -0.4176000      -1.248500      -3.235400    
 C   -5.280000     -0.4285000      0.3536000    
 C  -0.4448000      -3.061400      -1.638700    
 C   -4.700400       1.804100       1.072300    
 C  -0.1947000      -2.590500      -2.927600    
 C   -5.661500      0.8180000      0.8497000    
 H  -0.9174000      0.6011000       1.831400    
 H    3.427400      -1.347500       1.651400    
 H    3.302800       2.044100     -0.9798000    
 H   -1.079000      0.6595000      -2.510200    
 H   -3.676000      -1.672100     -0.2991000    
 H   -1.146600      -2.584900      0.3249000    
 H   -2.634700       2.332900      0.9830000    
 H  -0.2274000     -0.8829000      -4.240200    
 H   -6.028500      -1.196400      0.1817000    
 H  -0.2807000      -4.108600      -1.401900    
 H   -4.998000       2.774600       1.458600    
 H   0.1706000      -3.269600      -3.692400    
 H   -6.706900       1.020800       1.062900    


%chk=000074358-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000074358

0 1
O 1.938797 -1.301094 4.065259
O 1.036032 1.790891 -2.388249
O -0.202697 -0.820984 3.442774
O -0.610133 2.064814 -0.821410
O 5.714547 0.008073 1.461804
O 5.447462 0.924262 -0.618557
N -1.575093 -0.271919 -0.047701
N -0.660375 -0.179647 0.994834
N 1.097638 -0.817524 3.219197
N 0.524171 1.581014 -1.220840
N 4.983622 0.438222 0.486217
C 0.667341 0.160050 0.897400
C -1.204419 -0.986059 -1.241208
C -2.888373 0.231320 0.223997
C 1.581988 -0.251933 1.958818
C 1.301874 0.800600 -0.239088
C 2.975778 -0.155482 1.823696
C 2.690350 0.863068 -0.385327
C 3.520271 0.364028 0.639410
C -1.613541 -0.491790 -2.505090
C -4.025366 -0.392797 -0.353878
C -0.436805 -2.175552 -1.152115
C -3.049176 1.326249 1.112013
C -1.268232 -1.200190 -3.673176
C -5.313136 0.086719 -0.041806
C -0.082792 -2.865929 -2.330130
C -4.345405 1.781284 1.428469
C -0.500287 -2.386388 -3.593831
C -5.483295 1.169799 0.853433
H -0.961169 -0.480476 1.950734
H 3.625106 -0.494522 2.635480
H 3.123037 1.339463 -1.269533
H -2.167601 0.450043 -2.564148
H -3.902077 -1.246408 -1.027221
H -0.135229 -2.563840 -0.173323
H -2.167066 1.830537 1.516219
H -1.577373 -0.809906 -4.648255
H -6.187798 -0.398344 -0.488330
H 0.509466 -3.784382 -2.259220
H -4.464355 2.628449 2.112244
H -0.222642 -2.924762 -4.505800
H -6.487345 1.532042 1.096639


