%chk=000028889.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028889

0 1
 O  -0.3969000      -1.693500     -0.2165000    
 N   0.8203000      0.3399000     -7.0299998E-02
 N    4.049400      -2.554200     -0.3451000    
 C    2.148300     -0.2025000     -0.1601000    
 C    2.457900      -1.183500      0.9690000    
 C   0.6813000       1.797900     -4.5100000E-02
 C    3.851500      -1.813800      0.8951000    
 C  -0.3632000     -0.4649000     -0.1066000    
 C   0.6421000       2.449600      -1.241800    
 C   0.5998000       2.403900       1.173300    
 C   -1.666500      0.3112000      5.3500000E-02
 C   0.5092000       3.837900      -1.217800    
 C   0.4666000       3.792300       1.197400    
 C   0.7340000       1.759200      -2.564100    
 C   0.6454000       1.663900       2.470900    
 C   -2.893600     -0.5680000      3.2699998E-02
 C   0.4214000       4.509200      1.8000000E-03
 C    5.413100      -3.081500     -0.4192000    
 C    3.077600      -3.643600     -0.4560000    
 C   -3.517100     -0.8356000      -1.175700    
 C   -3.374400      -1.091400       1.222300    
 C   -4.651200      -1.647500      -1.195100    
 C   -4.508400      -1.903400       1.203100    
 C   -5.146800      -2.181500     -5.5999998E-03
 H    2.209100     -0.7178000      -1.125300    
 H    2.890500      0.6048000     -0.1668000    
 H    2.400500     -0.6389000       1.920100    
 H    1.692900      -1.960600       1.056600    
 H    4.591900      -1.006400      0.9628000    
 H    4.001900      -2.457100       1.772200    
 H   -1.762200       1.045800     -0.7537000    
 H   -1.666200      0.8643000      0.9973000    
 H   0.4731000       4.412600      -2.139600    
 H   0.3994000       4.329500       2.139800    
 H  -3.1500001E-02  0.9826000      -2.657400    
 H   0.5808000       2.456000      -3.395600    
 H    1.724200       1.311000      -2.693600    
 H   0.1645000      0.6836000       2.424900    
 H    1.685800       1.531900       2.784800    
 H   0.1238000       2.221900       3.256900    
 H   0.3186000       5.590300      2.0400001E-02
 H    5.577700      -3.591900      -1.374700    
 H    6.144000      -2.266600     -0.3710000    
 H    5.628300      -3.787300      0.3913000    
 H    2.061600      -3.272200     -0.6187000    
 H    3.299200      -4.262600      -1.334000    
 H    3.082400      -4.298300      0.4232000    
 H   -3.137200     -0.4264000      -2.107500    
 H   -2.882700     -0.8826000       2.168200    
 H   -5.147700      -1.864700      -2.136300    
 H   -4.893900      -2.319900       2.129100    
 H   -6.029500      -2.814100     -2.0500001E-02


%chk=000028889-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028889

0 1
O 0.065199 -1.936868 1.250173
N 0.674388 0.128054 0.376143
N 3.880868 -2.753019 -0.099836
C 1.963715 -0.464899 -0.091282
C 2.991322 -0.675762 1.043087
C 0.405182 1.523927 0.075752
C 4.224915 -1.470886 0.560226
C -0.228103 -0.718429 1.012614
C 0.026753 1.876567 -1.254724
C 0.552997 2.512341 1.093325
C -1.618243 -0.169534 1.374279
C -0.197053 3.243267 -1.551329
C 0.315957 3.868349 0.754375
C -0.158500 0.816250 -2.324359
C 0.924909 2.141045 2.517967
C -2.660215 -0.521250 0.309817
C -0.054084 4.235087 -0.556740
C 5.071724 -3.386122 -0.699669
C 3.136611 -3.685976 0.776438
C -3.405433 0.497338 -0.335641
C -2.902270 -1.875876 -0.039814
C -4.380957 0.171566 -1.306543
C -3.874259 -2.201118 -1.011411
C -4.619470 -1.179499 -1.647241
H 1.757221 -1.442952 -0.558916
H 2.383493 0.207669 -0.860297
H 3.345507 0.299666 1.430065
H 2.497259 -1.205498 1.876552
H 4.789425 -0.862769 -0.175597
H 4.906855 -1.629756 1.438837
H -1.601074 0.921126 1.528069
H -1.887860 -0.652436 2.331161
H -0.491880 3.525728 -2.568696
H 0.428602 4.637677 1.527372
H -0.893200 0.054539 -2.006470
H -0.518002 1.267038 -3.264681
H 0.783476 0.280737 -2.543878
H 1.693302 1.351555 2.549449
H 1.301428 3.021048 3.066778
H 0.050185 1.754053 3.076616
H -0.229369 5.288340 -0.802897
H 4.771221 -4.292909 -1.254609
H 5.548175 -2.689093 -1.413204
H 5.843480 -3.685762 0.056275
H 2.170301 -3.247095 1.077735
H 2.922082 -4.612843 0.214681
H 3.709212 -3.965901 1.698063
H -3.220424 1.547843 -0.079328
H -2.315736 -2.663063 0.447495
H -4.951777 0.970321 -1.793958
H -4.052357 -3.250943 -1.271371
H -5.376396 -1.433865 -2.397854


