%chk=000039459.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039459

0 1
 O  -5.4900002E-02   1.086700      0.7370000    
 N    2.456900      0.2653000     -0.2640000    
 N    4.021800      -1.427500     -0.4898000    
 N    4.785000      0.5978000      0.2249000    
 C  -0.6840000      -1.664400      0.2903000    
 C   -1.668400     -0.5611000      8.2699999E-02
 C   -1.310400      0.7669000      0.3151000    
 C  -0.3791000      -2.431500      -1.009500    
 C   -1.128300      -2.648900       1.387700    
 C   -2.958400     -0.8703000     -0.3487000    
 C   -2.242400       1.785500      0.1162000    
 C   -3.890300      0.1484000     -0.5475000    
 C   0.7107000       1.948800     -0.1023000    
 C   -3.532400       1.476300     -0.3150000    
 C    2.187600       1.660500      9.4300002E-02
 C    3.686700     -0.1324000     -0.1715000    
 H   0.2731000      -1.254600      0.6318000    
 H   -1.257200      -2.965900      -1.387600    
 H   0.4130000      -3.169600     -0.8422000    
 H  -3.8500000E-02  -1.746300      -1.793800    
 H   -1.327900      -2.120600       2.326700    
 H  -0.3439000      -3.389300       1.579300    
 H   -2.037200      -3.192800       1.108600    
 H   -3.261000      -1.896800     -0.5363000    
 H   -1.981600       2.823900      0.3015000    
 H   -4.894900     -9.2200004E-02 -0.8828000    
 H   0.4451000       1.796300      -1.156600    
 H   0.4980000       2.989200      0.1675000    
 H   -4.258800       2.269100     -0.4679000    
 H    2.444900       1.824500       1.147800    
 H    2.771600       2.344200     -0.5322000    
 H    3.317900      -2.089100     -0.7987000    
 H    4.977700      -1.759600     -0.4244000    
 H    5.707600      0.1773000      0.2586000    
 H    4.717500       1.571800      0.4974000    


%chk=000039459-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039459

0 1
O 0.395598 0.747276 0.137739
N 3.349218 1.612012 -0.772586
N 4.641462 -0.119023 -1.681912
N 2.897417 -0.707903 -0.215234
C -0.622551 -1.788086 0.919792
C -1.527076 -0.701681 0.329203
C -0.989862 0.559446 -0.071311
C -0.078405 -2.704552 -0.214773
C -1.314476 -2.635853 2.014351
C -2.908867 -0.917726 0.117582
C -1.814523 1.558784 -0.643508
C -3.743419 0.066433 -0.460756
C 0.952298 2.107086 -0.087327
C -3.190839 1.307465 -0.838897
C 2.444764 2.098316 0.284520
C 3.583791 0.317458 -0.870470
H 0.239594 -1.279423 1.392605
H -0.912544 -3.234801 -0.710855
H 0.614055 -3.465054 0.194712
H 0.457629 -2.119845 -0.983274
H -1.738622 -1.998331 2.810778
H -0.584661 -3.326488 2.476121
H -2.131620 -3.254640 1.599327
H -3.345970 -1.875915 0.419437
H -1.398380 2.523920 -0.944065
H -4.809787 -0.134247 -0.608704
H 0.832941 2.387997 -1.151924
H 0.391899 2.819428 0.552091
H -3.822065 2.083552 -1.285810
H 2.549047 1.544820 1.247446
H 2.719419 3.153008 0.482220
H 5.199962 0.625961 -2.095477
H 4.553486 -0.992809 -2.198508
H 3.323174 -1.620594 -0.074034
H 1.953410 -0.516392 0.128104


