%chk=000049348.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049348

0 1
 O   -1.871600      -1.783000      0.2911000    
 O  -0.7645000      -1.464400       2.284100    
 N   -3.457900      0.3869000     -0.6477000    
 C   -2.527700       2.539300      6.5399997E-02
 C   -3.585600       1.467600      0.3228000    
 C   -1.115600       1.958900      0.1694000    
 C  -5.5399999E-02   3.022800     -0.1232000    
 C   -4.035600     -0.8506000     -0.1203000    
 C    1.338500       2.453000     -5.8100000E-02
 C   -4.102600      0.7497000      -1.910900    
 C   -3.112400      -1.476100      0.9131000    
 C    2.038300       2.457700       1.148700    
 C    1.928800       1.920500      -1.204400    
 C    3.328200       1.930200       1.209200    
 C    3.218700       1.392900      -1.143700    
 C    3.918300       1.397800      6.3000001E-02
 C  -0.7728000      -1.739900       1.094400    
 C   0.4532000      -2.076900      0.3278000    
 C    1.693400      -2.089200      0.9662000    
 C   0.3649000      -2.381800      -1.030500    
 C    2.845400      -2.406000      0.2462000    
 C    1.517000      -2.698800      -1.750400    
 C    2.757100      -2.710900      -1.111900    
 H   -2.672200       3.010700     -0.9131000    
 H   -2.646500       3.335700      0.8109000    
 H   -4.587600       1.916000      0.2986000    
 H   -3.442100       1.126500       1.353400    
 H  -0.9865000       1.131800     -0.5391000    
 H  -0.9604000       1.543100       1.173000    
 H  -0.1464000       3.852300      0.5896000    
 H  -0.2231000       3.460900      -1.115500    
 H   -5.035500     -0.6863000      0.3001000    
 H   -4.141900      -1.576200     -0.9377000    
 H   -5.178000      0.9259000      -1.791800    
 H   -3.652800       1.644600      -2.352000    
 H   -3.968800     -4.8200000E-02  -2.650600    
 H   -3.552600      -2.421100       1.252200    
 H   -2.993700     -0.8414000       1.796500    
 H    1.588000       2.867300       2.049000    
 H    1.392600       1.907800      -2.149600    
 H    3.872400       1.932500       2.149000    
 H    3.677400      0.9758000      -2.035500    
 H    4.921700      0.9851000      0.1105000    
 H    1.783900      -1.852800       2.023000    
 H  -0.5793000      -2.383000      -1.567500    
 H    3.811400      -2.413600      0.7426000    
 H    1.449100      -2.935100      -2.808300    
 H    3.654200      -2.956200      -1.672700    


%chk=000049348-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049348

0 1
O -2.221400 -2.350900 0.463764
O -1.027966 -0.864608 1.817694
N -3.360475 0.247333 -0.563471
C -2.439585 2.497102 0.190053
C -3.442400 1.345961 0.432477
C -0.968022 2.033518 0.160349
C 0.031145 3.214004 0.017793
C -4.142958 -0.944599 -0.177287
C 1.480453 2.749811 0.055365
C -3.651786 0.685249 -1.943381
C -3.501537 -1.777554 0.945707
C 2.088085 2.387496 1.287110
C 2.246144 2.624695 -1.132065
C 3.419015 1.916407 1.332050
C 3.578579 2.152368 -1.094507
C 4.171112 1.795933 0.138844
C -1.046387 -1.725388 0.901745
C 0.154099 -2.216423 0.165830
C 1.386012 -1.543874 0.375895
C 0.089521 -3.311578 -0.734800
C 2.543470 -1.960628 -0.312959
C 1.253725 -3.734326 -1.409986
C 2.481032 -3.059305 -1.202765
H -2.687569 3.039841 -0.744911
H -2.578419 3.230442 1.011616
H -4.481425 1.770561 0.470550
H -3.226622 0.913459 1.426822
H -0.819791 1.316251 -0.669386
H -0.747073 1.469087 1.085775
H -0.155380 3.935107 0.840029
H -0.170725 3.751856 -0.929958
H -5.186418 -0.688701 0.151613
H -4.238592 -1.594417 -1.066586
H -4.684728 1.099500 -2.071103
H -2.935226 1.464493 -2.253400
H -3.533705 -0.168486 -2.633701
H -4.142008 -2.643561 1.185317
H -3.309045 -1.190439 1.859902
H 1.512152 2.479278 2.216685
H 1.793632 2.900551 -2.092905
H 3.871513 1.650028 2.294484
H 4.153504 2.066947 -2.024024
H 5.207350 1.439812 0.172230
H 1.416610 -0.692724 1.063611
H -0.867603 -3.815580 -0.894352
H 3.485174 -1.422430 -0.161653
H 1.206052 -4.584382 -2.099585
H 3.381868 -3.385386 -1.735227


