%chk=000112536.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112536

0 1
 O   -4.434800     -0.4941000     -0.9666000    
 O   -1.350500      -1.480700      0.2907000    
 O   -1.954200       2.746400      0.4766000    
 N    1.348800     -0.8780000     -0.3401000    
 C   -3.484700      0.4932000     -0.5457000    
 C   -3.629200     -0.8125000      0.1707000    
 C   -4.086300       1.728100      7.7999998E-03
 C   -2.656500      -1.917600     -5.9300002E-02
 C   -3.203100       2.400100       1.060900    
 C  -0.3859000      -2.505500      8.6999997E-02
 C   0.9887000      -1.992200      0.4811000    
 C    2.585200     -0.2095000     -0.2248000    
 C    3.519700     -0.6292000      0.7221000    
 C    2.873600      0.8718000      -1.057500    
 C    4.742300      3.2499999E-02  0.8364000    
 C    4.096300       1.533500     -0.9431000    
 C    5.030600       1.113800      3.8999999E-03
 H   -2.630500      0.6657000      -1.185900    
 H   -4.087500     -0.8296000       1.149800    
 H   -5.068700       1.523600      0.4504000    
 H   -4.246500       2.426800     -0.8222000    
 H   -2.664900      -2.228200      -1.111300    
 H   -2.936200      -2.780700      0.5556000    
 H   -3.676700       3.317100       1.423300    
 H   -3.020300       1.741100       1.915800    
 H  -0.6406000      -3.375600      0.7032000    
 H  -0.3895000      -2.807800     -0.9674000    
 H   0.9606000      -1.684900       1.533300    
 H    1.709700      -2.809900      0.3687000    
 H   -1.450000       1.925700      0.3451000    
 H   0.6940000     -0.5296000      -1.031800    
 H    3.336000      -1.464700       1.390800    
 H    2.154100       1.208900      -1.799200    
 H    5.470100     -0.2935000       1.573800    
 H    4.321000       2.375500      -1.591300    
 H    5.982600       1.629000      9.2900001E-02


%chk=000112536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000112536

0 1
O -5.012891 -0.649705 -0.694029
O -1.603075 -1.482139 0.486134
O -1.405975 1.255082 0.089288
N 1.175320 -0.425134 0.123172
C -3.791195 0.253151 -0.760517
C -3.858045 -0.847690 0.252358
C -3.849103 1.711265 -0.342753
C -2.920306 -2.024349 0.069354
C -2.582018 2.023119 0.519758
C -0.447518 -2.324938 0.110162
C 0.826567 -1.718136 0.707009
C 2.483601 0.082620 0.088247
C 3.627223 -0.667114 0.494962
C 2.684095 1.413090 -0.394961
C 4.920089 -0.105833 0.395839
C 3.977139 1.959971 -0.480355
C 5.112758 1.205987 -0.091349
H -3.189656 0.046612 -1.655243
H -4.098366 -0.583566 1.291399
H -4.765077 1.908812 0.244980
H -3.877794 2.353122 -1.240994
H -2.898161 -2.336628 -0.994838
H -3.176967 -2.895265 0.703708
H -2.297876 3.083775 0.428796
H -2.798609 1.811604 1.588376
H -0.600332 -3.345587 0.518461
H -0.377108 -2.374383 -0.996033
H 0.714391 -1.672643 1.814565
H 1.639509 -2.438075 0.495673
H -1.559320 0.276431 0.281330
H 0.429932 0.275703 0.043967
H 3.520458 -1.678045 0.901668
H 1.811633 2.003458 -0.701384
H 5.783811 -0.702571 0.713278
H 4.101456 2.982858 -0.855340
H 6.118112 1.634139 -0.160986


