%chk=000117222.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117222

0 1
 O   0.8702000      0.3365000     -5.2999999E-02
 O   -1.915800      -1.727200     -0.1846000    
 O    2.304000      0.2497000      -1.844900    
 O   -2.308700      -3.048100       1.659500    
 N    3.061700     -1.8600000E-02  0.3313000    
 N   -2.205600      -3.948800     -0.4536000    
 C   -1.566900      0.7093000     -0.1724000    
 C   -1.489200       1.937000      0.7880000    
 C   -2.696500      0.9475000      -1.227200    
 C  -0.2211000      0.5625000     -0.9368000    
 C   -1.842300     -0.5774000      0.6485000    
 C   -1.181600       3.289400      0.1322000    
 C   -4.102400       1.140300     -0.6681000    
 C   -1.199000       4.414200       1.158300    
 C    2.102400      0.1938000     -0.6363000    
 C   -2.156500      -2.915900      0.4497000    
 C    4.464500     -0.2077000      4.1999999E-02
 C    4.759900      -1.681300     -0.2056000    
 C    5.322900      0.3450000       1.173100    
 H  -0.7151000       1.742900       1.543200    
 H   -2.424500       2.017200       1.355900    
 H   -2.727600      8.8500001E-02  -1.910900    
 H   -2.450900       1.806200      -1.862700    
 H  -0.2872000     -0.2879000      -1.628300    
 H  -1.9600000E-02   1.451100      -1.546100    
 H   -1.038100     -0.7255000       1.380800    
 H   -2.777200     -0.4775000       1.212400    
 H   -1.917700       3.526400     -0.6413000    
 H  -0.1949000       3.273900     -0.3409000    
 H   -4.810200       1.268200      -1.494300    
 H   -4.433800      0.2745000     -8.9100003E-02
 H   -4.173400       2.032800     -4.1099999E-02
 H   -2.182200       4.497700       1.632400    
 H  -0.4526000       4.243000       1.940600    
 H  -0.9726000       5.370400      0.6761000    
 H    4.698900      0.3479000     -0.8741000    
 H    2.752000     -8.8799998E-02   1.296200    
 H    5.817100      -1.833600     -0.4471000    
 H    4.164600      -2.065600      -1.041100    
 H    4.519900      -2.287700      0.6750000    
 H    6.388300      0.2369000      0.9451000    
 H    5.116300       1.409000       1.332200    
 H    5.121000     -0.1743000       2.116600    
 H   -2.073300      -3.788700      -1.446600    
 H   -2.375600      -4.903600     -0.1560000    


%chk=000117222-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117222

0 1
O 0.846380 0.420865 -0.049268
O -1.946423 -1.694879 -0.245035
O 2.316449 0.096873 -1.870153
O -2.076482 -3.091839 1.651393
N 3.054020 0.056311 0.362208
N -2.127848 -3.941916 -0.537946
C -1.585381 0.737571 -0.210717
C -1.480396 1.941217 0.781349
C -2.726007 0.923583 -1.262192
C -0.274654 0.562576 -1.012401
C -1.824406 -0.518868 0.656445
C -1.294621 3.336618 0.141901
C -4.139985 1.145246 -0.683340
C -1.158945 4.440889 1.213563
C 2.110288 0.176172 -0.629893
C -2.052113 -2.937657 0.404903
C 4.472345 -0.244336 0.064713
C 4.698146 -1.764635 -0.114408
C 5.360504 0.349444 1.176042
H -0.628109 1.752023 1.462903
H -2.390179 1.962681 1.415868
H -2.743239 0.027780 -1.911886
H -2.465556 1.779919 -1.915198
H -0.317464 -0.342524 -1.642910
H -0.077108 1.433758 -1.662767
H -0.979076 -0.687986 1.345714
H -2.751620 -0.432336 1.250906
H -2.152869 3.572603 -0.517468
H -0.391529 3.342519 -0.499030
H -4.870431 1.267922 -1.503790
H -4.473578 0.286143 -0.073907
H -4.193097 2.051954 -0.053754
H -2.055153 4.477700 1.861613
H -0.283357 4.254468 1.863354
H -1.033002 5.437797 0.752894
H 4.698140 0.254450 -0.895922
H 2.737889 0.099479 1.332257
H 5.746906 -1.968995 -0.398382
H 4.041932 -2.156525 -0.910382
H 4.480557 -2.308471 0.823723
H 6.425645 0.168051 0.949763
H 5.205997 1.438821 1.271173
H 5.142980 -0.123260 2.153747
H -2.084813 -3.725101 -1.530459
H -2.209137 -4.902506 -0.218227


