%chk=000039313.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039313

0 1
 O   -2.290900       2.753700     -0.1858000    
 O    1.114300      -2.755200     -0.3868000    
 N   -4.046800     -0.8936000      0.2223000    
 C   0.7067000      0.7061000     -7.5599998E-02
 C   0.1302000     -0.5616000     -0.2664000    
 C    2.139600      0.5601000      6.2300000E-02
 C   -2.037600      0.3731000     -0.4016000    
 C    2.476400     -0.8006000     -4.0800001E-02
 C   -1.225600     -0.7606000     -0.4308000    
 C    1.223500      -1.556400     -0.2516000    
 C   -3.512900      0.2101000     -0.5754000    
 C  -0.1030000       1.827800     -4.7200002E-02
 C   -1.482900       1.653600     -0.2120000    
 C    3.136900       1.497500      0.2648000    
 C    3.771200      -1.269700      4.9699999E-02
 C    4.459900       1.047900      0.3602000    
 C    4.773000     -0.3209000      0.2537000    
 C   -5.490100      -1.016800      2.2299999E-02
 C   -3.741900     -0.6945000       1.638600    
 H   -1.622200      -1.757100     -0.5895000    
 H   -4.064900       1.118900     -0.3127000    
 H   -3.700000      2.4300000E-02  -1.641200    
 H   0.3130000       2.819600      9.8300003E-02
 H    2.914600       2.556000      0.3493000    
 H    4.007300      -2.323800     -3.2699998E-02
 H    5.259800       1.766700      0.5192000    
 H    5.809200     -0.6394000      0.3320000    
 H   -5.718900      -1.192100      -1.034900    
 H   -6.034200     -0.1232000      0.3496000    
 H   -5.882200      -1.879000      0.5733000    
 H   -4.204600      -1.489100       2.236800    
 H   -4.122100      0.2637000       2.012700    
 H   -2.673000     -0.7550000       1.863700    
 H   -2.992600       2.648400     -0.8491000    


%chk=000039313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039313

0 1
O -2.146945 2.971505 -0.284505
O 1.072812 -2.837644 -0.096263
N -4.111390 -0.843079 0.243338
C 0.770736 0.760587 -0.091220
C 0.156163 -0.530077 -0.143492
C 2.244122 0.578092 0.004935
C -2.057856 0.488052 -0.282230
C 2.521086 -0.822259 0.012144
C -1.234945 -0.666266 -0.239759
C 1.219981 -1.582421 -0.079247
C -3.570596 0.347945 -0.434970
C -0.015913 1.915551 -0.133344
C -1.427432 1.767893 -0.232227
C 3.296674 1.506380 0.080410
C 3.832576 -1.311997 0.093708
C 4.627691 1.015215 0.163244
C 4.896524 -0.375312 0.170093
C -5.462388 -1.204115 -0.228765
C -4.027705 -0.762457 1.715945
H -1.709690 -1.652327 -0.271309
H -4.094485 1.284326 -0.074583
H -3.822461 0.263146 -1.511504
H 0.401093 2.925952 -0.096191
H 3.107585 2.585467 0.075728
H 4.018565 -2.391089 0.097295
H 5.460968 1.724482 0.222576
H 5.932114 -0.726205 0.234689
H -5.450473 -1.351599 -1.323319
H -6.238961 -0.434622 0.012455
H -5.771963 -2.154354 0.240275
H -4.347387 -1.722609 2.156467
H -4.669393 0.049286 2.143529
H -2.985388 -0.576183 2.024105
H -3.124120 2.799635 -0.293309


