%chk=000048661.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048661

1 1
 O    1.766900      0.4779000      0.6501000    
 O    2.107400       1.642300      -1.320300    
 N   0.1425000      -2.508300      0.1833000    
 N    3.934500      0.6814000     -0.2489000    
 C   0.1497000      -1.344400     -0.7404000    
 C  -0.4278000     -0.1035000     -0.1277000    
 C   0.7436000      -3.745400     -0.4965000    
 C   0.9653000      -2.207000       1.442900    
 C   -1.289200      -2.849000      0.6172000    
 C   -1.797600      0.1899000     -0.2288000    
 C   0.4368000      0.7572000      0.5489000    
 C   -2.297400       1.373100      0.3653000    
 C  -5.4900002E-02   1.920600       1.133400    
 C   -2.682000     -0.6652000     -0.9061000    
 C   -1.412800       2.227800       1.043000    
 C   -3.667100       1.666500      0.2643000    
 C   -4.039800     -0.3579000     -0.9970000    
 C   -4.531400      0.8057000     -0.4130000    
 C    2.576700      0.9893000     -0.3889000    
 C    4.895000       1.140000      -1.242400    
 C    4.481500     -9.0999998E-02  0.8618000    
 H  -0.3546000      -1.633000      -1.669000    
 H    1.188600      -1.189600      -1.055200    
 H   0.1460000      -3.971800      -1.384200    
 H    1.775300      -3.513300     -0.7766000    
 H   0.7154000      -4.580900      0.2089000    
 H    1.000400      -3.123600       2.041900    
 H    1.980900      -1.945000       1.140300    
 H   0.4771000      -1.430900       2.035400    
 H   -1.223600      -3.720900       1.278900    
 H   -1.719800      -2.032900       1.198600    
 H   -1.869400      -3.144100     -0.2579000    
 H   0.6127000       2.595000       1.663000    
 H   -2.367200      -1.546600      -1.450100    
 H   -1.775000       3.142600       1.507500    
 H   -4.073200       2.571000      0.7124000    
 H   -4.711100      -1.018400      -1.538300    
 H   -5.587900       1.046500     -0.4876000    
 H    5.624700       1.791200     -0.7525000    
 H    4.408700       1.694600      -2.048700    
 H    5.405600      0.2702000      -1.665900    
 H    3.730100     -0.3117000       1.621600    
 H    5.289400      0.4825000       1.325700    
 H    4.879400      -1.030700      0.4683000    


%chk=000048661-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048661

1 1
O 1.876714 0.296282 0.606008
O 2.261517 0.414114 -1.728977
N 0.057261 -2.782902 0.096283
N 4.005322 0.796041 -0.194414
C 0.038763 -1.484634 -0.807025
C -0.440410 -0.226603 -0.126309
C 0.726463 -3.888232 -0.715465
C 0.857302 -2.544732 1.373444
C -1.353568 -3.218966 0.474640
C -1.830964 0.195630 -0.181120
C 0.487860 0.624645 0.505121
C -2.224134 1.425091 0.485588
C 0.103867 1.832881 1.151532
C -2.849473 -0.525756 -0.893074
C -1.234256 2.215128 1.153564
C -3.591807 1.852497 0.450009
C -4.172788 -0.077223 -0.923806
C -4.555792 1.115381 -0.236949
C 2.719285 0.527242 -0.563206
C 5.023148 0.961066 -1.255762
C 4.467872 0.991178 1.193691
H -0.588714 -1.754321 -1.671520
H 1.071320 -1.360219 -1.166570
H 0.192553 -4.009685 -1.670432
H 1.772620 -3.608291 -0.910251
H 0.690544 -4.829547 -0.145471
H 0.967941 -3.505039 1.901278
H 1.837620 -2.123161 1.113112
H 0.317005 -1.825522 2.004974
H -1.286058 -4.077095 1.161792
H -1.870442 -2.381718 0.963704
H -1.899069 -3.512271 -0.434744
H 0.875704 2.438443 1.634426
H -2.598811 -1.429680 -1.457356
H -1.541405 3.140089 1.653567
H -3.865833 2.780667 0.963614
H -4.924245 -0.638170 -1.489156
H -5.596701 1.451240 -0.266244
H 5.427610 1.989201 -1.235422
H 4.561978 0.777503 -2.236623
H 5.853402 0.249139 -1.097801
H 3.623430 0.920678 1.890352
H 4.939983 1.985987 1.291625
H 5.219783 0.223842 1.456073


