%chk=000084050.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084050

0 1
 O  -0.6160000     -0.6523000     -0.4022000    
 O  -0.9923000      -3.562900       1.649100    
 O   -3.369100      -2.901700     -0.2399000    
 O    2.147900     -0.8721000      0.1252000    
 O   -4.422900     -0.1214000      -1.817400    
 O    3.931600      -2.120700     -0.5955000    
 N   -2.755700      0.2807000     -0.2733000    
 N   -4.621400       1.777600     -0.5903000    
 N   -4.817800       3.722800      0.6691000    
 C   -1.063900      -2.796400      0.4627000    
 C   -2.382300      -2.066200      0.3376000    
 C  -8.4200002E-02  -1.637200      0.4981000    
 C   -2.017800     -0.9112000     -0.5819000    
 C    1.319400      -2.021800      6.6900000E-02
 C   -2.267400       1.130800      0.7069000    
 C   -3.962300      0.6113000     -0.9402000    
 C   -2.885400       2.257100       1.056800    
 C   -4.147500       2.568400      0.3366000    
 C    3.462200      -1.045800     -0.2362000    
 C    4.212800      0.2067000     -0.1346000    
 C    5.564300      0.2270000     -0.4600000    
 C    3.567000       1.363800      0.2859000    
 C    6.279600       1.420500     -0.3634000    
 C    4.282500       2.557300      0.3824000    
 C    5.638800       2.585600      5.7700001E-02
 H  -0.8878000      -3.458600     -0.3937000    
 H   -2.749600      -1.739200       1.317300    
 H  -4.0199999E-02  -1.182100       1.496000    
 H   -2.175500      -1.170300      -1.635400    
 H    1.306700      -2.390100     -0.9661000    
 H    1.719000      -2.799700      0.7275000    
 H   -1.715700      -4.212000       1.620000    
 H   -3.046400      -3.206300      -1.105000    
 H   -1.355500      0.8533000       1.221100    
 H   -2.514900       2.920700       1.826700    
 H   -5.682900       3.975000      0.2033000    
 H   -4.475700       4.356700       1.383600    
 H    6.080800     -0.6701000     -0.7899000    
 H    2.513400       1.388400      0.5483000    
 H    7.335700       1.443000     -0.6160000    
 H    3.784100       3.465000      0.7101000    
 H    6.195800       3.514900      0.1328000    


%chk=000084050-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084050

0 1
O -0.709694 -0.716643 -0.685782
O -0.767210 -3.568397 1.599463
O -3.364346 -3.125029 -0.209281
O 2.212991 -0.825122 0.087685
O -4.873833 -0.912749 -0.413240
O 3.901424 -1.895744 -1.107969
N -2.867412 0.283142 -0.245013
N -4.998112 1.362534 0.143044
N -5.092800 3.611373 0.701111
C -1.014551 -2.838436 0.365496
C -2.400778 -2.173689 0.286171
C -0.052768 -1.639685 0.297152
C -2.152378 -0.965920 -0.672212
C 1.334268 -1.987417 -0.199705
C -2.195371 1.460481 -0.008429
C -4.316539 0.211129 -0.176132
C -2.885866 2.612021 0.324486
C -4.326474 2.514740 0.387787
C 3.511344 -0.910325 -0.434228
C 4.335758 0.282873 -0.089977
C 5.667166 0.333595 -0.579252
C 3.832210 1.345091 0.705360
C 6.488114 1.438795 -0.276435
C 4.658338 2.448192 1.006895
C 5.985465 2.497746 0.517261
H -0.900875 -3.492556 -0.525501
H -2.674798 -1.787739 1.292737
H 0.001849 -1.152674 1.290757
H -2.486835 -1.214967 -1.696531
H 1.335854 -2.194012 -1.284059
H 1.719485 -2.871151 0.341266
H -1.414156 -4.316586 1.652626
H -4.203073 -2.585075 -0.351606
H -1.108765 1.411040 -0.112414
H -2.352399 3.545236 0.513392
H -6.104658 3.492580 0.725646
H -4.680064 4.518624 0.898999
H 6.033394 -0.499003 -1.188955
H 2.805625 1.292567 1.078199
H 7.515205 1.476441 -0.654790
H 4.271930 3.267425 1.622943
H 6.624735 3.355795 0.753735


