%chk=000084709.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084709

0 1
 O    5.440500      -2.919000       1.117600    
 O    5.203100       2.742600      0.4949000    
 O    3.168100       3.267500       1.397500    
 N    3.740700      -1.359800     -0.5051000    
 N    3.686100      0.8423000     -0.7891000    
 C    3.119800     -0.2205000     -0.2367000    
 C    4.912200      -1.092500      -1.351700    
 C    1.903000     -0.1449000      0.5887000    
 C    4.878500      0.4286000      -1.541600    
 C   0.6580000     -0.2474000     -0.2888000    
 C  -0.6526000     -0.1562000      0.4964000    
 C   -1.898000     -0.2334000     -0.3894000    
 C    3.373900      -2.702600     -7.3899999E-02
 C   -3.177200     -0.1063000      0.4411000    
 C    3.251500       2.230900     -0.7093000    
 C   -4.424500     -0.2170000     -0.4374000    
 C   -5.702400     -5.6400001E-02  0.3878000    
 C   -6.949500     -0.1339000     -0.4961000    
 C    4.027900      -2.981600       1.264400    
 C   -8.224800      6.0699999E-02  0.3269000    
 C    3.941600       2.800400      0.5149000    
 C   -9.502200      1.5799999E-02 -0.5142000    
 C   -10.77380      0.1827000      0.3031000    
 H    5.831900      -1.408800     -0.8539000    
 H    4.807200      -1.618600      -2.305200    
 H    1.879700      0.7893000       1.159100    
 H    1.888000     -0.9383000       1.342800    
 H    4.763200      0.6988000      -2.595600    
 H    5.778600      0.8977000      -1.137000    
 H   0.6774000      -1.194300     -0.8424000    
 H   0.6747000      0.5439000      -1.048000    
 H  -0.6667000      0.7871000       1.056400    
 H  -0.6835000     -0.9649000       1.237000    
 H   -1.901200      -1.186700     -0.9316000    
 H   -1.865200      0.5659000      -1.139500    
 H    2.286600      -2.800600     -1.2100000E-02
 H    3.729600      -3.413500     -0.8281000    
 H   -3.198800     -0.8908000       1.207400    
 H   -3.179100      0.8575000      0.9647000    
 H    2.162500       2.298600     -0.6458000    
 H    3.573100       2.770000      -1.606500    
 H   -4.392400      0.5541000      -1.216900    
 H   -4.433300      -1.189400     -0.9446000    
 H   -5.745800     -0.8382000       1.155800    
 H   -5.682600      0.9084000      0.9092000    
 H   -6.897700      0.6364000      -1.275200    
 H   -6.983800      -1.105700      -1.003000    
 H    3.759400      -3.982100       1.616900    
 H    3.730100      -2.247500       2.018600    
 H   -8.176100       1.024000      0.8497000    
 H   -8.277000     -0.7162000       1.099800    
 H   -9.550200     -0.9398000      -1.049900    
 H   -9.463600      0.8046000      -1.274900    
 H    5.826600      -3.106300       1.990200    
 H   -10.77850       1.144900      0.8248000    
 H   -10.86540     -0.6130000       1.049100    
 H   -11.65260      0.1430000     -0.3479000    


%chk=000084709-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084709

0 1
O 5.442850 -1.873389 1.413904
O 5.136796 2.918156 1.397851
O 4.590156 0.636130 1.375266
N 3.613396 -1.510819 -0.677275
N 3.739116 0.701862 -1.134606
C 3.130045 -0.274975 -0.388230
C 4.788181 -1.417314 -1.594682
C 1.879243 -0.050895 0.414298
C 4.944339 0.115734 -1.810099
C 0.601167 -0.143071 -0.471213
C -0.687606 -0.007680 0.368975
C -1.973123 -0.057207 -0.487413
C 3.441502 -2.705126 0.174728
C -3.265767 0.003510 0.357642
C 3.907012 2.027811 -0.513425
C -4.555229 -0.027857 -0.493483
C -5.846417 -0.004982 0.355463
C -7.138398 -0.029936 -0.492311
C 4.152853 -2.515742 1.557775
C -8.428451 -0.022192 0.358703
C 4.637165 1.864976 0.895742
C -9.721697 -0.046268 -0.488053
C -11.004485 -0.042443 0.371530
H 5.665915 -1.863326 -1.099922
H 4.568248 -1.954023 -2.534901
H 1.929598 0.930095 0.911058
H 1.825588 -0.799316 1.222712
H 4.958027 0.397711 -2.874985
H 5.855177 0.501989 -1.318177
H 0.591151 -1.109981 -1.013659
H 0.632991 0.651110 -1.242944
H -0.660750 0.944674 0.937509
H -0.720130 -0.820134 1.124741
H -1.976809 -0.987526 -1.093268
H -1.966547 0.785026 -1.210049
H 2.367465 -2.932727 0.312923
H 3.890743 -3.550625 -0.373697
H -3.277220 -0.848517 1.069281
H -3.257639 0.924745 0.976754
H 2.932338 2.520552 -0.354770
H 4.503597 2.679054 -1.170467
H -4.557729 0.837803 -1.188459
H -4.552655 -0.937390 -1.130351
H -5.845541 -0.874452 1.045902
H -5.847309 0.900562 0.997701
H -7.145270 0.844754 -1.176101
H -7.133741 -0.930914 -1.141294
H 4.316363 -3.515359 2.001421
H 3.496661 -1.936223 2.239697
H -8.434605 0.877648 1.009077
H -8.423311 -0.897774 1.041475
H -9.713477 -0.944389 -1.139182
H -9.727572 0.829981 -1.168241
H 5.300655 -0.867553 1.480693
H -11.051522 0.861186 1.008358
H -11.035785 -0.924045 1.039505
H -11.914552 -0.061398 -0.256025


