%chk=000108810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108810

0 1
 O   0.9629000      -1.371700      0.4638000    
 O    2.979100      -3.290300     -6.5099999E-02
 N   0.8566000      0.8361000     -0.3747000    
 C   0.7377000       2.218000      6.9499999E-02
 C   0.2309000     -0.1288000      0.5410000    
 C    2.245300      0.3836000     -0.4146000    
 C    2.048200      -1.123400     -0.4455000    
 C    1.512900       3.112300     -0.9038000    
 C  -0.7451000       2.604100      7.1300000E-02
 C    1.318400       2.349800       1.482500    
 C   -1.225100     -0.3815000      0.2237000    
 C    3.273200      -1.903300     -9.8999999E-03
 C   -2.114700     -0.7172000       1.245200    
 C   -1.681900     -0.2787000      -1.091000    
 C   -3.458500     -0.9503000      0.9526000    
 C   -3.025800     -0.5116000      -1.383400    
 C   -3.914000     -0.8473000     -0.3616000    
 H   0.3071000      0.1325000       1.596200    
 H    2.855500      0.6292000      0.4560000    
 H    2.774300      0.7133000      -1.314800    
 H    1.715400      -1.463200      -1.435200    
 H    1.195500       2.947700      -1.940500    
 H    1.336500       4.171100     -0.6786000    
 H    2.596800       2.961800     -0.8507000    
 H   -1.324400       2.122200      0.8632000    
 H   -1.220700       2.428200     -0.8993000    
 H  -0.8440000       3.681100      0.2615000    
 H    2.372900       2.091100       1.593300    
 H    1.279700       3.413400       1.762200    
 H   0.7440000       1.858800       2.271900    
 H    3.557700      -1.666300       1.020500    
 H    4.124500      -1.703600     -0.6671000    
 H   -1.773100     -0.8023000       2.273400    
 H   -1.013000     -3.8699999E-02  -1.912700    
 H    2.216300      -3.451400      0.5164000    
 H   -4.150000      -1.212200       1.748100    
 H   -3.380100     -0.4358000      -2.407200    
 H   -4.960100      -1.029800     -0.5896000    


%chk=000108810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108810

0 1
O 0.710481 -0.774430 1.198604
O 2.861249 -2.619899 1.461375
N 0.514491 1.080284 -0.264835
C 1.073737 2.402231 0.216316
C -0.251138 0.262381 0.676623
C 1.450030 0.120109 -0.931770
C 1.519524 -1.140515 0.003380
C 1.629020 3.157599 -1.018641
C -0.092632 3.246533 0.796709
C 2.186561 2.244547 1.294516
C -1.462667 -0.430407 0.035407
C 2.915429 -1.504748 0.512080
C -1.995022 -1.610031 0.614329
C -2.093720 0.128046 -1.101592
C -3.142904 -2.220361 0.062128
C -3.241549 -0.483452 -1.656134
C -3.771359 -1.657896 -1.074376
H -0.561926 0.837234 1.563416
H 2.447035 0.575922 -1.061350
H 1.072085 -0.168911 -1.928394
H 1.051487 -2.019753 -0.481519
H 0.836036 3.284170 -1.777007
H 1.992611 4.156533 -0.716661
H 2.475201 2.627875 -1.491705
H -0.439320 2.876336 1.778276
H -0.949803 3.247904 0.100276
H 0.241886 4.288979 0.943568
H 3.077044 1.731997 0.886406
H 2.510785 3.236025 1.661407
H 1.819606 1.656285 2.154245
H 3.383238 -0.610881 0.977079
H 3.552143 -1.857826 -0.317515
H -1.492394 -2.049177 1.482881
H -1.663523 1.033056 -1.544255
H 2.176796 -2.386698 2.141256
H -3.545116 -3.134255 0.514179
H -3.720565 -0.045531 -2.539539
H -4.661940 -2.132373 -1.502164


