%chk=000002538.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002538

0 1
 O   -4.824900     -0.7324000      0.4102000    
 O   -2.931800       2.227000      0.8757000    
 O   -1.604700      -3.411900     -0.1929000    
 O   -5.376500       1.294600       1.201800    
 N  -7.3500000E-02  -1.683500     -7.4600004E-02
 N    2.295400       1.021000      6.0699999E-02
 C   -3.278200       1.137100      1.7700000E-02
 C   -2.166300      0.1245000      9.1000004E-03
 C   0.1948000     -0.3262000     -6.8999999E-03
 C   -2.453800      -1.187200     -7.0699997E-02
 C    1.176800      -2.470100     -0.1096000    
 C  -0.7849000      0.5804000      3.0500000E-02
 C    2.221500      -1.404600     -5.6600001E-02
 C    1.639600     -0.1463000      3.3000000E-03
 C   -1.350700      -2.212100     -0.1176000    
 C   -3.557900       1.680000      -1.385700    
 C   -3.864300      -1.665600     -0.1310000    
 C   -4.569200      0.5819000      0.6079000    
 C    3.593300      -1.492400     -5.9000000E-02
 C   -4.656800       2.723000      -1.362600    
 C    4.335100     -0.3008000     -3.0000001E-04
 C    3.641900      0.9414000      5.8699999E-02
 C    5.738700     -0.3245000      6.0000003E-04
 C    4.397400       2.107900      0.1161000    
 C    6.464900      0.8617000      5.8800001E-02
 C    5.794100       2.077300      0.1165000    
 H    1.206200      -3.047300      -1.038500    
 H    1.202100      -3.132700      0.7605000    
 H  -0.5702000       1.642400      6.8599999E-02
 H   -3.839700      0.8744000      -2.074800    
 H   -2.654200       2.154700      -1.789000    
 H   -4.154800      -1.889400      -1.162700    
 H   -3.980400      -2.582200      0.4566000    
 H    4.081500      -2.461300     -0.1051000    
 H   -5.636500       2.287400      -1.145800    
 H   -4.459300       3.525900     -0.6458000    
 H   -4.736500       3.187800      -2.351900    
 H   -2.700800       1.866800       1.749500    
 H    6.277400      -1.268700     -4.4199999E-02
 H    3.898500       3.074300      0.1620000    
 H    7.550400      0.8369000      5.9099998E-02
 H    6.355500       3.006100      0.1620000    


%chk=000002538-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002538

0 1
O -4.713381 -0.732984 0.722227
O -2.870320 2.476769 0.682001
O -1.536377 -3.371926 -0.377109
O -5.072043 1.296490 1.715012
N -0.046168 -1.573192 -0.183247
N 2.418999 1.038640 0.132362
C -3.280417 1.229164 0.051300
C -2.103791 0.258363 -0.002577
C 0.254230 -0.216552 -0.030724
C -2.399349 -1.099847 -0.144615
C 1.164421 -2.435443 -0.259850
C -0.757202 0.728834 0.065814
C 2.282411 -1.422885 -0.135436
C 1.719521 -0.099064 -0.000494
C -1.355826 -2.114986 -0.244700
C -3.789251 1.536011 -1.401497
C -3.829113 -1.569386 -0.158739
C -4.422814 0.606424 0.897093
C 3.661704 -1.568169 -0.130827
C -4.993836 2.495240 -1.444050
C 4.468877 -0.386306 0.009273
C 3.803297 0.903088 0.138729
C 5.899181 -0.430887 0.026726
C 4.595023 2.086969 0.279711
C 6.645866 0.742018 0.166048
C 5.989505 2.008130 0.293266
H 1.165519 -2.993779 -1.214124
H 1.139994 -3.183852 0.553671
H -0.532864 1.785110 0.212043
H -4.027761 0.590410 -1.924861
H -2.928996 1.988410 -1.929757
H -4.278773 -1.554526 -1.170069
H -3.909948 -2.591234 0.241899
H 4.144714 -2.547148 -0.229212
H -5.889778 2.062208 -0.964104
H -4.752482 3.442113 -0.931767
H -5.252592 2.731125 -2.491644
H -3.569977 2.706332 1.356384
H 6.402798 -1.400238 -0.070573
H 4.066697 3.040174 0.375952
H 7.740135 0.697732 0.178890
H 6.589364 2.917951 0.402173


