%chk=000178757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178757

0 1
 O    4.446600     -0.2840000       1.178600    
 O    2.341800      -2.209600      -1.008300    
 O    3.936700      -3.278700      0.9149000    
 O    7.193700      0.1850000      0.8681000    
 O   -3.058800      -3.078300     -0.5403000    
 O   6.8200000E-02   4.266200      -1.214000    
 N   -5.493400      0.2329000      0.8677000    
 N    2.664100      0.7807000      3.0099999E-02
 N   -2.028900      0.3829000      0.2481000    
 N   0.2582000      0.4598000      0.1855000    
 N    2.631600       2.886500     -0.7457000    
 N   -1.040200       2.361600     -0.4955000    
 C    3.198400     -0.4983000      0.4922000    
 C    3.494200      -1.486900     -0.6254000    
 C    4.555800      -2.358400      1.6000001E-02
 C    5.361600      -1.347000      0.8253000    
 C   -3.377700      0.8594000      6.9100000E-02
 C   -3.790200       1.759900       1.270600    
 C   -4.445100     -0.1683000      9.3900003E-02
 C   -5.301100       1.538200       1.467600    
 C   -4.745500      -1.406600     -0.4094000    
 C    6.517500     -0.7441000      3.9299998E-02
 C    1.368000       1.151000     -8.6900003E-02
 C   -6.470700     -0.6945000      0.9080000    
 C  -0.9449000       1.125400     -4.1099999E-02
 C   -6.034700      -1.741900      0.1107000    
 C    3.396900       1.871100     -0.3825000    
 C    1.356900       2.431200     -0.5585000    
 C   -3.914300      -2.229200      -1.306500    
 C   0.1014000       3.116700     -0.7917000    
 C   -2.246100      -3.882800      -1.379800    
 H    2.482300     -0.8991000       1.219700    
 H    3.899800     -0.9746000      -1.506300    
 H    5.148700      -2.936300     -0.6986000    
 H    5.729400      -1.770800       1.766700    
 H   -3.474700       1.420100     -0.8699000    
 H   -3.548600       2.814700       1.103000    
 H   -3.262500       1.450000       2.183300    
 H   -5.903800       2.255500      0.9033000    
 H   -5.595500       1.507600       2.519000    
 H    7.230400      -1.515100     -0.2673000    
 H    6.174700     -0.2073000     -0.8508000    
 H   -1.908200     -0.5424000      0.6503000    
 H   -7.380300     -0.5579000       1.476000    
 H   -6.588700      -2.652000     -7.5599998E-02
 H    4.478200       1.868800     -0.4029000    
 H   0.2626000     -0.4939000      0.5317000    
 H    2.621100      -2.882500      -1.652200    
 H    3.347500      -3.845100      0.3881000    
 H   -3.304700      -1.586900      -1.953900    
 H   -4.554900      -2.845400      -1.949100    
 H    6.549300      0.8624000       1.135900    
 H   -1.599400      -3.257200      -2.002800    
 H   -2.864300      -4.530300      -2.009100    
 H   -1.614700      -4.512500     -0.7473000    


%chk=000178757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178757

0 1
O 4.636218 -0.292644 0.868994
O 1.819646 -1.996000 -0.702159
O 3.669839 -3.400331 0.707537
O 7.464514 -0.423942 0.514179
O -2.395166 -2.511968 -0.350855
O -0.161995 4.561529 -0.544803
N -5.586737 0.187357 0.658084
N 2.720481 0.944857 0.221924
N -2.085998 0.324630 0.132469
N 0.267255 0.467064 0.149100
N 2.629722 3.202794 -0.136678
N -1.107766 2.440521 -0.187592
C 3.219891 -0.391093 0.542951
C 3.165996 -1.396019 -0.635316
C 4.243191 -2.441218 -0.233581
C 5.300349 -1.607322 0.521507
C -3.434731 0.869394 -0.090652
C -3.946622 1.846337 1.032855
C -4.465821 -0.233266 -0.044274
C -5.479125 1.581724 1.144413
C -4.653487 -1.576895 -0.412096
C 6.564748 -1.262046 -0.271749
C 1.379606 1.289311 0.085041
C -6.519507 -0.840936 0.737883
C -0.980648 1.133579 0.019206
C -5.955507 -1.954184 0.090638
C 3.443384 2.163711 0.076188
C 1.321338 2.674494 -0.135425
C -3.676948 -2.447656 -1.133814
C 0.010193 3.334184 -0.310855
C -1.445349 -3.452113 -0.947752
H 2.642748 -0.802573 1.399459
H 3.426453 -0.879229 -1.577243
H 4.666070 -2.964265 -1.115333
H 5.557290 -2.107668 1.470867
H -3.435335 1.416095 -1.056496
H -3.697215 2.891013 0.798787
H -3.446671 1.571573 1.977939
H -6.065708 2.260267 0.496636
H -5.855406 1.669970 2.177849
H 7.135318 -2.181802 -0.487094
H 6.292846 -0.771041 -1.232510
H -2.008692 -0.707678 0.164464
H -7.478748 -0.720723 1.235494
H -6.423522 -2.933288 -0.009459
H 4.524019 2.193760 0.162601
H 0.356799 -0.554385 0.145911
H 1.575064 -2.186547 -1.641232
H 2.727884 -3.565227 0.430668
H -3.422703 -2.061916 -2.145335
H -4.075747 -3.476711 -1.239069
H 6.954720 0.364093 0.835402
H -1.204278 -3.179189 -1.999712
H -1.849809 -4.484464 -0.936477
H -0.532638 -3.414219 -0.330183


