%chk=000004938.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004938

0 1
 O   0.5779000       1.436200      -1.082200    
 O  -0.4608000      -3.042900     -0.1482000    
 O   -6.459000      0.5351000     -0.8597000    
 N   3.4000002E-02 -0.8030000     -0.6227000    
 N    3.327600      0.7730000     -0.1083000    
 N    1.706300      -2.308300      0.2740000    
 N    3.903900      -1.254800      0.6170000    
 C   -1.338100     -0.5959000      -1.074100    
 C    2.209800     -3.5999999E-03 -0.2170000    
 C   -2.261400     -0.1524000      5.6600001E-02
 C    2.589800      -1.238400      0.2333000    
 C   0.9006000      0.3206000     -0.6832000    
 C   -3.710100      3.8300000E-02 -0.4094000    
 C    3.465400       2.168000     -0.4524000    
 C   0.3697000      -2.127100     -0.1614000    
 C    4.321000     -2.4700001E-02  0.3982000    
 C   -4.630300      0.4905000      0.7242000    
 C    3.140300       3.084800      0.7249000    
 C    2.149900      -3.608600      0.7610000    
 C    3.279600       4.548800      0.3412000    
 C   -6.074700      0.6938000      0.2979000    
 C   -7.041300       1.070600       1.390400    
 H   -1.346500      0.1586000      -1.869800    
 H   -1.718300      -1.523100      -1.518400    
 H   -2.235700     -0.8940000      0.8647000    
 H   -1.890300      0.7865000      0.4864000    
 H   -4.085600     -0.9023000     -0.8314000    
 H   -3.738400      0.7777000      -1.219500    
 H    4.502200       2.322200     -0.7759000    
 H    2.833300       2.381400      -1.319500    
 H    5.320400      0.3430000      0.5869000    
 H   -4.269200       1.439400       1.136800    
 H   -4.621100     -0.2592000       1.523500    
 H    3.807100       2.866000       1.567600    
 H    2.117900       2.899800       1.075600    
 H    1.344300      -4.346600      0.7327000    
 H    2.494600      -3.501900       1.794200    
 H    2.973500      -3.960900      0.1324000    
 H    4.301200       4.774400      1.9300001E-02
 H    3.043600       5.189100       1.196900    
 H    2.596800       4.806700     -0.4747000    
 H   -7.099900      0.2618000       2.122700    
 H   -6.707900       1.993000       1.872400    
 H   -8.034300       1.237000      0.9636000    


%chk=000004938-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004938

0 1
O 0.581544 1.474307 -1.112384
O -0.504408 -2.999864 -0.078096
O -6.400596 0.876606 -0.914682
N 0.073497 -0.783098 -0.608052
N 3.470018 0.750494 -0.134680
N 1.706766 -2.316934 0.298294
N 3.967033 -1.356681 0.617234
C -1.329062 -0.558139 -1.056204
C 2.287253 -0.003291 -0.219224
C -2.257169 -0.139575 0.104383
C 2.631768 -1.285231 0.244020
C 0.967184 0.340610 -0.682053
C -3.701668 0.084844 -0.391806
C 3.623795 2.186715 -0.458551
C 0.374687 -2.091723 -0.122846
C 4.435293 -0.102113 0.373233
C -4.649298 0.495797 0.749795
C 3.032290 3.111020 0.628849
C 2.102772 -3.648265 0.797795
C 3.223853 4.596479 0.258115
C -6.084458 0.788574 0.301522
C -7.120925 0.958591 1.409229
H -1.295720 0.236253 -1.820461
H -1.687387 -1.498481 -1.506543
H -2.241567 -0.929944 0.879487
H -1.866992 0.790787 0.561723
H -4.085777 -0.838162 -0.867966
H -3.722062 0.865000 -1.175929
H 4.704477 2.381329 -0.588775
H 3.115001 2.377722 -1.419113
H 5.461022 0.214456 0.547129
H -4.269078 1.411740 1.253103
H -4.678389 -0.279216 1.543991
H 3.514879 2.892098 1.601153
H 1.954702 2.888017 0.729478
H 1.213842 -4.294333 0.763408
H 2.478165 -3.567539 1.831562
H 2.903562 -4.065730 0.164835
H 4.294415 4.854984 0.150436
H 2.797152 5.251857 1.037590
H 2.716419 4.834862 -0.694744
H -7.424262 -0.040287 1.780499
H -6.708850 1.514334 2.270830
H -8.015921 1.469732 1.021013


