%chk=000176695.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176695

0 1
 O   -3.521800       2.177000      0.2605000    
 O   -2.009500      -1.691500      0.6256000    
 O   -2.712500      0.5523000      -1.150100    
 O   -1.313600      -4.138200      6.7900002E-02
 N  -0.4912000      8.4600002E-02  0.4114000    
 N    2.544900       1.156400      -1.379100    
 C   -1.425100       1.151800      0.8034000    
 C   0.8810000      0.4825000      0.1742000    
 C    1.743500      0.5515000       1.229600    
 C    1.279000      0.7785000      -1.091800    
 C  -0.8811000      -1.274100      0.3576000    
 C  -0.6945000       2.483700      0.8753000    
 C    3.054900      0.9366000      0.9738000    
 C   -2.610600       1.248900     -0.1452000    
 C   0.1965000      -2.249900     -9.9299997E-02
 C    3.402100       1.225800     -0.3360000    
 C    1.343400      0.2344000       2.633600    
 C   0.3489000      0.7087000      -2.259600    
 C    4.800600       1.643000     -0.6477000    
 C  -0.1800000      -3.719700     -0.1599000    
 C   0.9202000      -4.666100     -0.5695000    
 C   -4.675100       2.323800     -0.5746000    
 H   -1.826200      0.8725000       1.785400    
 H  -0.3123000       2.821000     -9.4099998E-02
 H   -1.401600       3.265900       1.182300    
 H   0.1004000       2.533600       1.620800    
 H    3.787800       1.009900       1.771200    
 H   0.5258000      -1.979500      -1.105600    
 H    1.042200      -2.182500      0.5926000    
 H    2.169500      0.4026000       3.333700    
 H   0.5103000      0.8519000       2.977600    
 H    1.061600     -0.8201000       2.719900    
 H  -0.3697000       1.532500      -2.222800    
 H   0.9064000      0.8066000      -3.198100    
 H  -0.1900000     -0.2400000      -2.309600    
 H    4.924000       1.836600      -1.718400    
 H    5.053400       2.560800     -0.1075000    
 H    5.505200      0.8547000     -0.3640000    
 H    1.244300      -4.432400      -1.586600    
 H   0.5517000      -5.695300     -0.5410000    
 H    1.759500      -4.575300      0.1245000    
 H   -5.316300       3.093200     -0.1364000    
 H   -5.233500       1.383800     -0.6176000    
 H   -4.377700       2.643900      -1.577700    


%chk=000176695-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176695

0 1
O -3.713266 1.195847 0.333338
O -1.915010 -1.478493 -0.137903
O -2.422812 1.253674 -1.604266
O 1.202679 -3.383833 1.228221
N -0.272091 0.136540 0.100296
N 2.920474 1.602156 -1.238408
C -1.345693 1.032348 0.639474
C 1.108288 0.580823 0.035336
C 1.941805 0.463543 1.187058
C 1.632657 1.135977 -1.168150
C -0.689193 -1.146517 -0.237568
C -0.840561 2.453474 0.964072
C 3.264811 0.948112 1.079600
C -2.512896 1.133511 -0.362476
C 0.366913 -2.158633 -0.706097
C 3.722997 1.519845 -0.133538
C 1.456396 -0.202850 2.455769
C 0.828495 1.205561 -2.447039
C 5.129381 2.066632 -0.267626
C 0.388607 -3.358035 0.266099
C -0.639955 -4.440964 0.021549
C -4.932126 1.316606 -0.502801
H -1.766244 0.564010 1.548672
H -0.452795 2.959774 0.064267
H -1.682994 3.043263 1.364192
H -0.043153 2.432015 1.724961
H 3.942831 0.877723 1.937513
H 0.062255 -2.497615 -1.711938
H 1.371350 -1.712019 -0.749448
H 2.101974 0.055212 3.312058
H 0.417363 0.074536 2.704677
H 1.477461 -1.304234 2.332349
H 1.254140 1.985497 -3.097541
H 0.900467 0.244357 -2.994988
H -0.243950 1.391482 -2.271558
H 5.275745 2.459630 -1.285222
H 5.314890 2.879908 0.458724
H 5.884296 1.280862 -0.077710
H -1.639070 -3.966872 -0.036057
H -0.612355 -5.197059 0.820632
H -0.459446 -4.926572 -0.956768
H -5.759514 1.391525 0.216224
H -5.035222 0.420455 -1.136604
H -4.873128 2.213197 -1.142676


