%chk=000131168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131168

0 1
 O   -3.811400      -1.268200      0.8514000    
 O    5.267300     -0.9646000     -0.5256000    
 N   0.2710000      -1.714200     -0.2262000    
 N    2.633100     -0.1331000      5.6699999E-02
 N   -7.359800       2.591800      -1.002200    
 C    1.468800      -2.019100      -1.018100    
 C   0.6617000      -1.192200       1.089300    
 C    2.323000     -0.7665000      -1.228600    
 C    1.487800      8.8399999E-02  0.9485000    
 C  -0.5632000      -2.906100     -7.7699997E-02
 C   -1.811400      -2.580900      0.7364000    
 C    3.721700      0.7407000      0.1551000    
 C   -2.660800      -1.516200      5.5500001E-02
 C    5.036000      0.3211000     -0.1370000    
 C    3.529600       2.079500      0.5530000    
 C    6.111900       1.203000     -3.5200000E-02
 C    4.605600       2.961300      0.6547000    
 C    5.896700       2.523200      0.3606000    
 C   -4.686200     -0.3168000      0.3946000    
 C    6.618800      -1.323100     -0.8057000    
 C   -4.418700      0.3482000     -0.7964000    
 C   -5.831200     -2.7000001E-02   1.127300    
 C   -5.308700       1.316500      -1.261100    
 C   -6.721300      0.9413000      0.6626000    
 C   -6.460000       1.612900     -0.5316000    
 H    2.072100      -2.795400     -0.5282000    
 H    1.178000      -2.404200      -2.003000    
 H    1.235000      -1.941500       1.651700    
 H  -0.1984000     -0.9063000       1.700300    
 H    1.780400     -4.7499999E-02  -1.856500    
 H    3.220600      -1.051600      -1.785400    
 H    1.824300      0.3831000       1.950600    
 H   0.8537000      0.8912000      0.5501000    
 H  -0.8677000      -3.273200      -1.065900    
 H  -1.3900000E-02  -3.719300      0.4141000    
 H   -2.415500      -3.496200      0.8081000    
 H   -1.610000      -2.327500       1.782100    
 H   -2.075100     -0.5942000     -3.5599999E-02
 H   -2.955100      -1.887000     -0.9347000    
 H    2.539000       2.467600      0.7753000    
 H    7.141300      0.9358000     -0.2472000    
 H    4.438100       3.990400      0.9591000    
 H    6.733500       3.211200      0.4392000    
 H    7.251300      -1.243300      8.5000001E-02
 H    6.617100      -2.378200      -1.099100    
 H    7.018900     -0.7592000      -1.655100    
 H   -3.547700      0.1689000      -1.416600    
 H   -6.038200     -0.5479000       2.057800    
 H   -5.095300       1.833200      -2.193500    
 H   -7.615100       1.163200       1.240100    
 H   -7.170400       3.079400      -1.867700    
 H   -8.194600       2.807800     -0.4737000    


%chk=000131168-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131168

0 1
O -3.963525 -1.288018 0.748415
O 5.240544 -0.934505 -0.872964
N 0.344811 -1.688110 0.070731
N 2.794093 -0.135341 0.227755
N -7.707132 2.495885 -1.199230
C 1.514227 -2.006166 -0.788222
C 0.813286 -1.109499 1.353309
C 2.354189 -0.748150 -1.052637
C 1.652914 0.159105 1.116293
C -0.539173 -2.868417 0.255195
C -1.903317 -2.525311 0.889304
C 3.902535 0.749890 0.237579
C -2.652098 -1.448468 0.101038
C 5.174275 0.362644 -0.316832
C 3.833439 2.030690 0.855233
C 6.283644 1.232981 -0.265446
C 4.952296 2.890846 0.926404
C 6.180213 2.499458 0.358976
C -4.837990 -0.323271 0.201428
C 6.539082 -1.395353 -1.364165
C -4.547204 0.489536 -0.920567
C -6.090019 -0.188961 0.849087
C -5.500863 1.424324 -1.383426
C -7.037717 0.741325 0.387388
C -6.760027 1.568385 -0.741094
H 2.169422 -2.781964 -0.316783
H 1.145997 -2.405092 -1.752226
H 1.430151 -1.848193 1.926868
H -0.059958 -0.840063 1.974180
H 1.737942 -0.018477 -1.627735
H 3.241459 -1.012810 -1.645121
H 2.034292 0.513363 2.090365
H 0.992323 0.951627 0.689786
H -0.710256 -3.306708 -0.748171
H -0.042687 -3.661063 0.873252
H -2.519921 -3.443702 0.918375
H -1.789302 -2.194213 1.938232
H -2.095156 -0.491221 0.112564
H -2.787302 -1.759277 -0.957319
H 2.880750 2.370419 1.272068
H 7.243647 0.924508 -0.690493
H 4.852263 3.867696 1.412120
H 7.052652 3.160030 0.398753
H 7.296985 -1.394918 -0.556736
H 6.365438 -2.425817 -1.709070
H 6.898569 -0.775604 -2.209113
H -3.589356 0.409829 -1.443544
H -6.302650 -0.824227 1.714975
H -5.261362 2.047974 -2.253823
H -8.002055 0.830767 0.902937
H -7.511918 3.085621 -2.001754
H -8.603850 2.595212 -0.734537


