%chk=000135814.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135814

0 1
 O   0.6815000     -0.9599000      -1.431700    
 O   -1.826700      0.7799000      0.1446000    
 O   -3.471200     -0.6147000     -0.6350000    
 O    4.672800      0.3019000      -1.743000    
 N    1.768200      0.1326000      0.2953000    
 N   -1.438800      -1.470200      6.5300003E-02
 C  -0.1748000      -1.270000      0.7594000    
 C   0.2431000      -2.667000       1.204800    
 C    2.679100      0.9025000     -0.5418000    
 C  -0.3834000      -3.579600      0.1518000    
 C   -1.696100      -2.885600     -0.1773000    
 C    1.929100      0.4781000       1.705300    
 C   0.7862000     -0.6903000     -0.2339000    
 C    3.242300       1.975000      0.3834000    
 C    3.198000       1.315400       1.759600    
 C   -2.341700     -0.4466000     -0.1807000    
 C    3.744900     -3.8699999E-02  -1.016700    
 C   -2.690800       1.900700     -7.4400000E-02
 C   -3.036800       1.964900      -1.561400    
 C   -1.934400       3.155700      0.3557000    
 C   -3.950400       1.716000      0.7706000    
 H  -0.3433000     -0.6082000       1.612000    
 H    1.326500      -2.802700       1.276000    
 H  -0.1962000      -2.891400       2.184500    
 H    2.151100       1.305800      -1.411400    
 H  -0.5281000      -4.603200      0.5083000    
 H   0.2565000      -3.618800     -0.7375000    
 H   -2.499300      -3.198200      0.4988000    
 H   -2.024300      -3.040400      -1.209000    
 H    1.987300     -0.4211000       2.324700    
 H    1.061800       1.074000       2.010300    
 H    2.579700       2.849100      0.3813000    
 H    4.249700       2.308400      0.1172000    
 H    4.071100      0.6642000       1.886600    
 H    3.191000       2.038600       2.579800    
 H    3.678100      -1.086500     -0.6749000    
 H   -3.778700       1.232600      -1.889300    
 H   -3.458500       2.945200      -1.813700    
 H   -2.142600       1.815900      -2.177900    
 H   -1.004100       3.262300     -0.2143000    
 H   -1.643900       3.090900       1.410600    
 H   -2.532800       4.061700      0.2158000    
 H   -3.698300       1.378000       1.782500    
 H   -4.492600       2.665000      0.8599000    
 H   -4.673000       1.004600      0.3629000    


%chk=000135814-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000135814

0 1
O 0.839494 -1.176892 -1.417600
O -1.798645 0.623459 0.322712
O -3.500198 -0.750593 -0.619659
O 5.040890 0.364933 -0.793995
N 1.694199 0.111507 0.305973
N -1.512791 -1.639227 0.218514
C -0.170398 -1.480236 0.811419
C 0.240859 -2.955007 1.108774
C 2.617685 0.826429 -0.624920
C -0.470445 -3.760655 -0.010304
C -1.826479 -3.036289 -0.175938
C 1.671818 0.749844 1.655550
C 0.811427 -0.828417 -0.192293
C 2.921120 2.157876 0.088844
C 2.823035 1.785588 1.592359
C -2.369486 -0.605963 -0.078890
C 3.861112 -0.052279 -0.852821
C -2.544879 1.919481 0.042448
C -2.737690 2.084047 -1.478705
C -1.573801 2.976054 0.599918
C -3.881446 1.924036 0.812348
H -0.235610 -0.876796 1.730962
H 1.335238 -3.093845 1.109868
H -0.146432 -3.244718 2.103165
H 2.113704 0.937340 -1.606343
H -0.594253 -4.825626 0.247922
H 0.105876 -3.679916 -0.946593
H -2.608501 -3.452497 0.488809
H -2.208990 -3.060965 -1.209736
H 1.830131 0.005136 2.455854
H 0.693301 1.240789 1.815982
H 2.165474 2.917264 -0.180205
H 3.920656 2.532757 -0.185113
H 3.770766 1.324742 1.923528
H 2.623323 2.656643 2.237853
H 3.625251 -1.120396 -1.075440
H -3.416743 1.312247 -1.872606
H -3.167787 3.080284 -1.690928
H -1.767515 2.005819 -2.001116
H -0.599071 2.914198 0.083554
H -1.413784 2.826427 1.682673
H -1.989216 3.987724 0.444968
H -3.708439 1.744690 1.888738
H -4.368584 2.910313 0.700254
H -4.556976 1.146588 0.423320


