%chk=000002079.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002079

0 1
 O  -0.7044000       2.556700      0.8419000    
 O   -2.628600       2.376500     -0.3315000    
 O    1.241000      0.7498000      -1.441200    
 N   4.0199999E-02  4.6900000E-02  0.4166000    
 N    4.874600     -0.4236000      0.4077000    
 C   -2.353100     -0.5707000      0.3958000    
 C   -2.111000      -2.085000      0.2026000    
 C   -1.261700      0.3945000     -9.0999998E-02
 C   -1.919100      -2.379000      -1.290100    
 C  -0.9146000      -2.623500      0.9838000    
 C   -1.619900       1.855300      0.1319000    
 C    1.201000      0.2585000     -0.3164000    
 C    2.436900     -0.1919000      0.4424000    
 C    3.718500      3.5399999E-02 -0.3523000    
 H   -2.520400     -0.3912000       1.467100    
 H   -3.300400     -0.3042000     -9.2299998E-02
 H   -3.010800      -2.608000      0.5503000    
 H   -1.199200      0.3086000      -1.184000    
 H   -2.753400      -1.982000      -1.877900    
 H  -0.9895000      -1.953800      -1.681700    
 H   -1.880800      -3.460700      -1.460000    
 H   4.3800000E-02  -2.425800      0.4981000    
 H  -0.8949000      -2.233200       2.006200    
 H  -0.9924000      -3.714900       1.058800    
 H   0.1196000     -0.2326000       1.390000    
 H    2.474800      0.3613000       1.389100    
 H    2.322800      -1.256900      0.6793000    
 H    3.835600       1.098900     -0.5893000    
 H    3.675500     -0.5077000      -1.303000    
 H  -0.9603000       3.498400      0.9417000    
 H    4.941200      9.8399997E-02   1.280500    
 H    5.725500     -0.2176000     -0.1140000    


%chk=000002079-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002079

0 1
O -1.083788 2.563077 1.055864
O -2.564467 2.344781 -0.720496
O 1.162697 -0.713946 -1.329457
N 0.180257 0.295864 0.521023
N 5.056822 -0.116042 0.432248
C -2.242050 -0.526861 0.513901
C -2.156077 -2.035641 0.140610
C -1.146921 0.414603 -0.093475
C -2.163969 -2.262111 -1.390892
C -0.974814 -2.785759 0.802770
C -1.672435 1.847505 -0.004387
C 1.268136 -0.231285 -0.156865
C 2.587680 -0.229875 0.615473
C 3.792352 0.079416 -0.301583
H -2.227372 -0.414800 1.617019
H -3.220425 -0.145668 0.159736
H -3.092137 -2.474285 0.550084
H -1.022298 0.174527 -1.164585
H -2.992100 -1.713903 -1.879009
H -1.210352 -1.936689 -1.846201
H -2.288389 -3.336620 -1.619992
H -0.012435 -2.495842 0.349327
H -0.925032 -2.587787 1.890166
H -1.091367 -3.876660 0.662037
H 0.319404 0.741313 1.429729
H 2.550917 0.480653 1.465437
H 2.751443 -1.238369 1.042356
H 3.667809 1.100930 -0.733216
H 3.758248 -0.627476 -1.148240
H -1.485152 3.472440 1.101037
H 5.237826 0.579085 1.162765
H 5.874490 -0.267676 -0.164084


