%chk=000062188.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062188

1 1
 O   -3.900400      -2.305700       2.437000    
 O   -4.298500       3.518200       1.157000    
 O   -4.265400      -2.609800      0.2106000    
 O   -5.900400       2.069400      0.4379000    
 N   -3.845900      0.1854000     -0.1854000    
 N   -2.772600     -0.8632000      -2.019300    
 C   -4.900800     -0.1105000      -1.242300    
 C   -2.667800     -0.5289000     -0.7699000    
 C   -4.252700     -0.3740000       1.160300    
 C   -3.560800       1.672300     -8.1600003E-02
 C   -4.068700     -0.3445000      -2.483600    
 C   -1.457200     -0.8792000      3.7500001E-02
 C  -0.2190000     -0.2640000     -0.6052000    
 C    1.077400     -0.5884000      0.1409000    
 C    2.322100      8.2999999E-03 -0.5194000    
 C   -4.148400      -1.869500       1.175700    
 C   -4.727600       2.404100      0.5111000    
 C    3.591400     -0.3714000      0.2467000    
 C    4.834000      0.2518000     -0.3921000    
 C    6.106200     -0.1546000      0.3537000    
 C    7.352200      0.4420000     -0.3050000    
 C    8.625900      6.3999998E-03  0.4229000    
 C    9.905000      0.5574000     -0.2112000    
 C    11.17200      0.1485000      0.5238000    
 H   -5.475600     -0.9988000     -0.9691000    
 H   -5.590600      0.7230000      -1.382300    
 H   -3.583100      5.4200001E-02   1.914300    
 H   -5.288100     -9.5500000E-02   1.375600    
 H   -2.681700       1.783200      0.5632000    
 H   -3.342300       2.063400      -1.080500    
 H   -3.909700      0.5827000      -3.045600    
 H   -4.554000      -1.065700      -3.148500    
 H   -1.364300      -1.970300      6.7900002E-02
 H   -1.552900     -0.5159000       1.063700    
 H  -0.3406000      0.8255000     -0.6613000    
 H  -0.1243000     -0.6143000      -1.641000    
 H    1.000500     -0.2184000       1.170800    
 H    1.189300      -1.678100      0.2031000    
 H    2.225800       1.100000     -0.5592000    
 H    2.396000     -0.3485000      -1.553800    
 H    3.508200     -3.6200002E-02   1.287700    
 H    3.694600      -1.463200      0.2656000    
 H    4.905600     -6.6600002E-02  -1.439300    
 H    4.740000       1.344500     -0.3920000    
 H    6.188000      -1.248300      0.3688000    
 H    6.044600      0.1796000       1.396500    
 H    7.404300      0.1224000      -1.352900    
 H    7.283700       1.536400     -0.3030000    
 H    8.573900      0.3348000       1.468500    
 H    8.679100      -1.089300      0.4378000    
 H   -3.825400      -3.283000       2.477600    
 H   -5.041900       4.018400       1.556300    
 H    9.971500      0.2143000      -1.250500    
 H    9.852400       1.652300     -0.2410000    
 H    11.27790     -0.9408000      0.5418000    
 H    11.15740      0.5094000       1.557000    
 H    12.05230      0.5689000      2.7600000E-02


%chk=000062188-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062188

1 1
O -4.106069 -2.865561 2.084816
O -5.554465 3.372550 1.110046
O -3.601038 -2.684474 -0.186191
O -6.561881 1.270805 1.013800
N -4.117121 0.143885 -0.098603
N -2.743822 -0.074410 -2.087283
C -5.038441 -0.229207 -1.275045
C -2.611741 -0.025876 -0.824031
C -4.311095 -0.714743 1.140792
C -4.221285 1.623070 0.254766
C -4.149682 -0.054436 -2.545169
C -1.405353 -0.048534 0.058136
C -0.080503 0.069145 -0.742666
C 1.152624 -0.023741 0.182774
C 2.480702 0.138515 -0.591754
C -3.959254 -2.181307 0.898519
C -5.584705 2.025783 0.831537
C 3.729420 -0.034111 0.302448
C 5.054320 0.172320 -0.465703
C 6.309423 -0.071798 0.401961
C 7.631854 0.158556 -0.363808
C 8.890490 -0.126267 0.486124
C 10.211343 0.113465 -0.280445
C 11.464811 -0.185408 0.569655
H -5.327232 -1.280654 -1.149203
H -5.936482 0.403065 -1.260534
H -3.676359 -0.320580 1.953025
H -5.363341 -0.630546 1.463277
H -3.433368 1.878103 0.983405
H -4.029259 2.213418 -0.657816
H -4.334521 0.893291 -3.082249
H -4.307371 -0.876168 -3.261905
H -1.395134 -0.999797 0.629015
H -1.455984 0.765577 0.810482
H -0.070782 1.027740 -1.295469
H -0.045960 -0.733096 -1.502109
H 1.094308 0.755291 0.971779
H 1.153247 -1.003430 0.704695
H 2.507708 1.139031 -1.070807
H 2.519144 -0.603390 -1.415900
H 3.681921 0.682071 1.149349
H 3.721625 -1.049426 0.751138
H 5.080543 -0.508971 -1.341905
H 5.085554 1.204162 -0.873717
H 6.289039 -1.111254 0.791414
H 6.280267 0.593591 1.290261
H 7.648978 -0.486326 -1.267546
H 7.666345 1.206171 -0.729729
H 8.875243 0.511799 1.394697
H 8.862562 -1.176834 0.844287
H -3.910050 -3.837345 1.983496
H -6.417811 3.700471 1.485192
H 10.222872 -0.518323 -1.192195
H 10.243090 1.165250 -0.631360
H 11.473800 -1.239097 0.907070
H 11.495818 0.455123 1.471293
H 12.393654 -0.006935 -0.002212


