%chk=000095704.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095704

0 1
 O  -0.2361000      -2.335400      0.5608000    
 O  -0.2480000       2.291700      0.7262000    
 N   0.1021000     -2.3800001E-02  0.7189000    
 N    3.594600      1.4200000E-02 -0.5875000    
 C   -2.100700     -0.8060000      0.7035000    
 C   -2.104100      0.7460000      0.7597000    
 C   -2.864000      -1.103800     -0.6067000    
 C   -2.869600       1.134200     -0.5255000    
 C   -2.419600      5.0700001E-02  -1.514400    
 C   -4.296700     -0.6665000     -0.3914000    
 C   -4.300000      0.6754000     -0.3426000    
 C  -0.6431000      -1.185800      0.6580000    
 C  -0.6482000       1.135700      0.7414000    
 C    1.551800     -2.1800000E-02  0.7562000    
 C    2.139000     -1.6600000E-02 -0.6476000    
 C    4.107000      -1.158500      0.1241000    
 C    4.059000       1.242800      5.9799999E-02
 C    3.637400      -2.446600     -0.5304000    
 C    3.539100       2.474100     -0.6625000    
 H   -2.568000      -1.252200       1.588200    
 H   -2.573200       1.124900       1.674400    
 H   -2.735500      -2.096900      -1.038800    
 H   -2.746000       2.156500     -0.8846000    
 H   -1.345600      6.1000001E-02  -1.725700    
 H   -2.958100      8.4100001E-02  -2.471000    
 H   -5.145600      -1.315400     -0.2472000    
 H   -5.152000       1.308000     -0.1519000    
 H    1.838900      0.8600000       1.335000    
 H    1.837500     -0.9114000       1.324300    
 H    1.780600     -0.8824000      -1.217200    
 H    1.739100      0.8213000      -1.230700    
 H    3.890300      -1.165800       1.198100    
 H    5.202300      -1.143600      4.7200002E-02
 H    5.154300       1.267400     -1.6899999E-02
 H    3.839800       1.300500       1.131500    
 H    2.590500      -2.675900     -0.3115000    
 H    3.777800      -2.425700      -1.616800    
 H    4.227300      -3.286200     -0.1454000    
 H    3.672000       2.397500      -1.747200    
 H    2.486200       2.677100     -0.4452000    
 H    4.100700       3.354800     -0.3304000    


%chk=000095704-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095704

0 1
O -0.268631 -2.341150 0.865451
O -0.313097 2.344448 0.903821
N 0.003861 0.003982 0.933988
N 3.539328 0.022710 -0.550807
C -2.240459 -0.797446 0.759551
C -2.255288 0.765586 0.772116
C -2.892556 -1.152965 -0.645453
C -2.913722 1.131133 -0.627375
C -2.322554 0.001488 -1.529845
C -4.358334 -0.707911 -0.531042
C -4.370925 0.657383 -0.520231
C -0.763172 -1.185873 0.857515
C -0.785552 1.180353 0.876840
C 1.472613 0.017106 0.976890
C 2.069821 0.016535 -0.471538
C 4.211399 -1.202979 -0.041822
C 4.201110 1.256739 -0.048736
C 3.673910 -2.509766 -0.653834
C 3.655423 2.555326 -0.670867
H -2.797748 -1.269357 1.584577
H -2.821429 1.213683 1.604352
H -2.706357 -2.187712 -0.965432
H -2.746616 2.174055 -0.930901
H -1.220280 0.012259 -1.603695
H -2.757555 0.005484 -2.541753
H -5.204846 -1.385471 -0.394029
H -5.229816 1.316886 -0.372608
H 1.781174 0.925191 1.523012
H 1.798366 -0.880959 1.529608
H 1.689824 -0.874420 -1.001108
H 1.681736 0.901236 -1.005818
H 4.163138 -1.276370 1.075848
H 5.284756 -1.102580 -0.296620
H 5.275646 1.162835 -0.301007
H 4.150328 1.337301 1.068329
H 2.649509 -2.745262 -0.313544
H 3.674548 -2.447628 -1.756924
H 4.321819 -3.353646 -0.354531
H 3.658255 2.485225 -1.773484
H 2.628826 2.786154 -0.334019
H 4.296751 3.406000 -0.376676


