%chk=000081857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081857

0 1
 O   -1.888400      -1.100000      -1.664900    
 O   0.9939000      0.4910000      -1.819500    
 O   -1.994200      -1.101200       2.477000    
 O    3.905600      -1.709500     -0.1242000    
 N   -2.741900     -0.3499000      0.3765000    
 N    2.855300      0.3759000     -0.4124000    
 C   -3.965600       2.576800     -5.5700000E-02
 C    3.049500       3.116500       1.230900    
 C   -3.766800       1.746400       1.209300    
 C    3.854500       1.823800       1.332300    
 C   -3.050800       2.188100      -1.213900    
 C    1.669000       2.950600      0.6014000    
 C   -3.939800      0.2470000      0.9826000    
 C    4.052600       1.126900     -1.1000000E-02
 C   -3.328600      0.7901000      -1.757700    
 C    1.722300       2.545500     -0.8684000    
 C   -2.568100     -0.2977000      -1.019200    
 C    1.803200       1.042000      -1.068300    
 C   -1.868400      -1.037700       1.254500    
 C    2.886400      -1.023200     -0.1921000    
 C  -0.7066000      -1.739300      0.6724000    
 C    1.600200      -1.730700     -2.9500000E-02
 C   0.5034000      -1.067700      0.5208000    
 C  -0.8282000      -3.068800      0.2778000    
 C    1.482900      -3.062800     -0.4261000    
 C   0.2685000      -3.732000     -0.2726000    
 H   -3.791500       3.631200      0.1913000    
 H   -5.012000       2.504500     -0.3779000    
 H    3.623000       3.858300      0.6608000    
 H    2.928800       3.529800       2.239700    
 H   -2.778700       1.954700       1.637800    
 H   -4.508500       2.077300       1.946600    
 H    4.838900       2.074400       1.746100    
 H    3.374100       1.143300       2.046100    
 H   -2.001100       2.285200     -0.9105000    
 H   -3.215100       2.910500      -2.023000    
 H    1.157600       3.919000      0.6697000    
 H    1.073300       2.240200       1.185300    
 H   -4.135800     -0.2333000       1.947700    
 H   -4.811500      4.1800000E-02  0.3515000    
 H    4.317700       1.844600     -0.7949000    
 H    4.898500      0.4371000      8.3099999E-02
 H   -2.980700      0.7595000      -2.798600    
 H   -4.397200      0.5546000      -1.782000    
 H    2.532000       3.043000      -1.411400    
 H   0.7861000       2.871000      -1.340700    
 H   0.5771000     -5.1100001E-02  0.8937000    
 H   -1.770200      -3.598400      0.3930000    
 H    2.323100      -3.596200     -0.8629000    
 H   0.1764000      -4.768700     -0.5829000    


%chk=000081857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081857

0 1
O -2.919332 -1.908804 -1.418727
O 0.760111 0.832184 -1.644074
O -2.030686 -1.164746 2.534828
O 3.837044 -1.493523 -0.415609
N -2.975003 -0.547389 0.490012
N 2.703576 0.553208 -0.340405
C -3.438100 2.558003 -0.336876
C 3.124175 3.248564 1.494960
C -3.183270 1.913532 1.044219
C 3.823799 1.872598 1.521738
C -2.960199 1.723344 -1.548841
C 1.722548 3.243934 0.844421
C -3.777159 0.494766 1.197561
C 3.964558 1.207609 0.134233
C -3.713484 0.375783 -1.736209
C 1.713572 2.842614 -0.659138
C -3.177417 -0.789091 -0.905985
C 1.675438 1.335432 -0.932251
C -2.016021 -1.257574 1.274355
C 2.723085 -0.896704 -0.366665
C -0.862110 -1.920317 0.556052
C 1.448174 -1.662058 -0.229104
C 0.303696 -1.138098 0.418762
C -0.875136 -3.255961 0.091878
C 1.434784 -3.006399 -0.680696
C 0.280279 -3.797320 -0.512642
H -2.945395 3.549953 -0.365345
H -4.526848 2.748324 -0.446646
H 3.765233 3.966558 0.941655
H 3.043233 3.635118 2.529574
H -2.096217 1.861359 1.252893
H -3.625243 2.555828 1.831269
H 4.841104 1.995971 1.942481
H 3.286617 1.176368 2.194938
H -1.870444 1.531764 -1.493610
H -3.123595 2.321708 -2.465765
H 1.296940 4.262891 0.922195
H 1.041470 2.577926 1.412200
H -3.778989 0.199200 2.259704
H -4.817976 0.460780 0.829117
H 4.305146 1.942638 -0.618076
H 4.717662 0.404294 0.165659
H -3.637380 0.033931 -2.782179
H -4.794117 0.519766 -1.527019
H 2.586545 3.301516 -1.165839
H 0.812497 3.239511 -1.156592
H 0.316020 -0.118240 0.814952
H -1.784128 -3.856338 0.181624
H 2.334849 -3.410406 -1.154543
H 0.270295 -4.831604 -0.870843


