%chk=000177785.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177785

0 1
 O   -5.239400      -1.092300      0.8756000    
 O   -6.474900       1.236100      0.2464000    
 N   -5.269600      0.8613000     -0.3619000    
 C   0.2634000      9.4099998E-02  0.2260000    
 C    1.587000     -0.2306000     -0.4704000    
 C  -0.9304000     -0.4223000     -0.5789000    
 C    2.780300      0.2585000      0.3533000    
 C   -2.250800     -0.1273000      0.1332000    
 C    4.133300     -2.0300001E-02 -0.3088000    
 C   -3.439700     -0.6719000     -0.6541000    
 C    5.321900      0.5352000      0.4796000    
 C   -4.742600     -0.3398000      4.0399998E-02
 C    6.613100      0.2959000     -0.2474000    
 C    7.648500     -0.3767000      0.2671000    
 H   0.2550000     -0.3587000       1.225000    
 H   0.1744000       1.178800      0.3618000    
 H    1.669600      -1.313300     -0.6237000    
 H    1.606700      0.2394000      -1.461000    
 H  -0.8302000      -1.504100     -0.7299000    
 H  -0.9344000      4.4000000E-02  -1.571600    
 H    2.761000     -0.2177000       1.341500    
 H    2.681600       1.338400      0.5206000    
 H   -2.242100     -0.5715000       1.136300    
 H   -2.361100      0.9554000      0.2722000    
 H    4.129200      0.4157000      -1.316400    
 H    4.252300      -1.103900     -0.4372000    
 H   -3.373100      -1.761800     -0.7511000    
 H   -3.449300     -0.2595000      -1.670000    
 H    5.343500      8.3899997E-02   1.478700    
 H    5.198500       1.615800      0.6186000    
 H    6.709800      0.7138000      -1.246200    
 H   -4.939300       1.439800      -1.125700    
 H    8.558800     -0.5074000     -0.3077000    
 H    7.608100     -0.8062000       1.262000    
 H   -6.138200       1.807300      0.9574000    


%chk=000177785-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177785

0 1
O -4.982145 -0.423482 1.323937
O -7.033828 0.736758 0.122740
N -5.795698 0.521556 -0.578804
C 0.330589 0.243884 0.247926
C 1.664111 -0.125478 -0.440197
C -0.912309 -0.215287 -0.547387
C 2.908165 0.328841 0.355874
C -2.240524 0.155294 0.147223
C 4.240241 -0.039593 -0.334995
C -3.477398 -0.318011 -0.656403
C 5.484952 0.421588 0.470441
C -4.772599 -0.087931 0.103023
C 6.788609 0.111682 -0.234588
C 7.798161 -0.641945 0.269924
H 0.302842 -0.207518 1.261262
H 0.286586 1.343060 0.396296
H 1.707025 -1.224470 -0.590552
H 1.692092 0.327881 -1.453324
H -0.867953 -1.315376 -0.691072
H -0.882793 0.233488 -1.562760
H 2.882091 -0.125626 1.368171
H 2.865957 1.427935 0.507864
H -2.285956 -0.299688 1.154323
H -2.293025 1.252750 0.292769
H 4.269290 0.417381 -1.346086
H 4.292958 -1.136357 -0.485863
H -3.388207 -1.406604 -0.844287
H -3.509786 0.180051 -1.645932
H 5.477509 -0.051389 1.471856
H 5.406039 1.517951 0.634107
H 6.897992 0.540499 -1.244347
H -5.826453 0.867288 -1.535510
H 8.716539 -0.830953 -0.297604
H 7.733498 -1.091611 1.268962
H -6.795672 0.341532 1.026711


