%chk=000048609.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048609

0 1
 O   -5.021000      0.2351000     -0.2684000    
 O    5.020600      0.2338000      0.2696000    
 O   -5.819300      -1.150000       1.381700    
 O    5.821300      -1.143900      -1.385500    
 N   -1.443100       1.042800      8.4600002E-02
 N    1.443100       1.043000     -8.5000001E-02
 C   -7.353000     -0.3712000     -0.3667000    
 C    7.352500     -0.3728000      0.3686000    
 C   -8.092700      -1.681600     -0.7078000    
 C   -8.584100      1.3600000E-02  0.4799000    
 C    8.584800      1.5900001E-02 -0.4745000    
 C    8.091800      -1.684600      0.7049000    
 C   -9.406800     -0.9218000     -0.4304000    
 C    9.406200     -0.9236000      0.4327000    
 C  -0.7028000     -0.1621000     -0.3094000    
 C  -0.7025000       2.249000     -0.3049000    
 C   0.7023000     -0.1638000      0.3025000    
 C   0.7022000       2.248000      0.3081000    
 C   -2.782100       1.044100     -0.5010000    
 C    2.781400       1.041800      0.5026000    
 C   -6.004400     -0.4886000      0.3601000    
 C    6.005000     -0.4871000     -0.3608000    
 C   -3.730600      0.1913000      0.3263000    
 C    3.731100      0.1927000     -0.3272000    
 H   -7.268600      0.2752000      -1.254400    
 H    7.266700      0.2696000       1.259000    
 H   -7.968700      -2.044900      -1.731300    
 H   -7.905200      -2.507600     -1.2000000E-02
 H   -8.541200     -0.3134000       1.525400    
 H   -8.871000       1.068100      0.4497000    
 H    8.543500     -0.3064000      -1.521500    
 H    8.871600       1.070200     -0.4391000    
 H    7.966400      -2.052300       1.726700    
 H    7.905200      -2.507600      5.2999998E-03
 H   -10.19390      -1.496200      6.3900001E-02
 H   -9.825000     -0.4246000      -1.313200    
 H    10.19400      -1.495800     -6.3100003E-02
 H    9.823400     -0.4304000       1.318100    
 H  -0.6246000     -0.2351000      -1.402900    
 H   -1.217400      -1.064000      3.9700001E-02
 H   -1.228900       3.142100      5.3500000E-02
 H  -0.6305000       2.327400      -1.398300    
 H   0.6238000     -0.2422000       1.395600    
 H    1.216900      -1.063900     -5.1100001E-02
 H    1.228800       3.142200     -4.7300000E-02
 H   0.6301000       2.322600       1.401700    
 H   -3.197400       2.061500     -0.5087000    
 H   -2.781100      0.7269000      -1.552300    
 H    3.196600       2.059100      0.5154000    
 H    2.778900      0.7200000       1.552400    
 H   -3.790800      0.5786000       1.350900    
 H   -3.397400     -0.8516000      0.3596000    
 H    3.792800      0.5845000      -1.349900    
 H    3.397900     -0.8500000     -0.3655000    


%chk=000048609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048609

0 1
O -5.104642 0.340487 -0.223589
O 5.103995 0.337690 0.225055
O -5.827528 -1.331503 1.232161
O 5.826809 -1.331495 -1.233931
N -1.452245 1.138029 0.046315
N 1.451815 1.137009 -0.042486
C -7.402484 -0.354172 -0.386662
C 7.402455 -0.355466 0.385044
C -8.097643 -1.666694 -0.916597
C -8.658512 -0.137590 0.541593
C 8.657449 -0.135955 -0.543975
C 8.099378 -1.668217 0.911979
C -9.462963 -1.134994 -0.360229
C 9.463676 -1.134217 0.355283
C -0.692256 -0.079236 -0.336479
C -0.690319 2.354398 -0.332886
C 0.690811 -0.081484 0.334445
C 0.690835 2.352157 0.342538
C -2.840240 1.145259 -0.472780
C 2.839593 1.140968 0.477220
C -6.072283 -0.525194 0.302736
C 6.071807 -0.526432 -0.303500
C -3.746269 0.257448 0.388613
C 3.745365 0.255300 -0.386634
H -7.327045 0.418660 -1.167717
H 7.326991 0.415884 1.167562
H -8.019240 -1.861653 -1.998179
H -7.741924 -2.546218 -0.353222
H -8.473150 -0.553102 1.546838
H -9.030558 0.895728 0.630404
H 8.471605 -0.549832 -1.549805
H 9.028397 0.897890 -0.631237
H 8.022186 -1.865158 1.993291
H 7.743941 -2.547105 0.347423
H -10.112604 -1.862237 0.152196
H -10.051619 -0.612638 -1.134654
H 10.113545 -1.859918 -0.159038
H 10.052555 -0.612662 1.130081
H -0.556029 -0.137877 -1.445969
H -1.249492 -0.976579 -0.012821
H -1.256648 3.245095 -0.003002
H -0.545850 2.422198 -1.440654
H 0.554607 -0.145436 1.443656
H 1.247264 -0.977690 0.006333
H 1.257956 3.243949 0.016988
H 0.546406 2.414701 1.450619
H -3.225537 2.180330 -0.431117
H -2.903129 0.815059 -1.538476
H 3.225918 2.175796 0.439071
H 2.901671 0.807245 1.541886
H -3.792083 0.622413 1.429136
H -3.430154 -0.800651 0.404495
H 3.790464 0.622627 -1.426360
H 3.429749 -0.802916 -0.404663


