%chk=000005411.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005411

0 1
 O    2.668400     -6.5300003E-02  0.1074000    
 O    2.096500      -2.294200      0.1680000    
 N   -3.561500      0.7635000     -8.5600004E-02
 N    6.301200      0.5659000      0.1994000    
 C   -6.005100      0.7101000     -8.2999997E-02
 C   -4.714300     -0.1045000     -8.6300001E-02
 C   -7.257400     -0.1691000     -3.6600001E-02
 C   -2.253700      0.3064000     -3.6899999E-02
 C    4.879200      0.8682000      0.1340000    
 C    4.057000     -0.4103000      0.1558000    
 C   -8.523400      0.6711000      3.2099999E-02
 C   0.4012000     -0.6208000      6.4900003E-02
 C   -1.173700       1.208400     -3.7599999E-02
 C   -1.971800      -1.071300      1.6000001E-02
 C   0.1423000      0.7488000      1.2800000E-02
 C  -0.6558000      -1.530900      6.6600002E-02
 C    1.773300      -1.100000      0.1189000    
 C    7.092700       1.798400      0.2207000    
 C    6.705100     -0.2744000     -0.9307000    
 H   -6.003700       1.386200      0.7818000    
 H   -6.038200       1.348300     -0.9754000    
 H   -4.703300     -0.7446000      0.8042000    
 H   -4.700700     -0.7496000     -0.9730000    
 H   -7.293700     -0.8098000     -0.9251000    
 H   -7.216800     -0.8280000      0.8385000    
 H   -3.705600       1.766300     -0.1329000    
 H    4.581500       1.483800      0.9930000    
 H    4.624600       1.455000     -0.7591000    
 H    4.253500     -0.9801000       1.071900    
 H    4.255700      -1.041300     -0.7158000    
 H   -8.530800       1.297400      0.9298000    
 H   -9.405900      2.4400000E-02  6.1799999E-02
 H   -8.609000       1.323100     -0.8430000    
 H   -1.358300       2.279700     -7.7600002E-02
 H   -2.763900      -1.815300      1.7500000E-02
 H   0.9332000       1.493600      9.8999999E-03
 H  -0.4756000      -2.602000      0.1066000    
 H    6.815500       2.418300       1.080700    
 H    6.957800       2.391800     -0.6909000    
 H    8.158800       1.570500      0.3311000    
 H    6.335400      -1.299400     -0.8300000    
 H    7.797300     -0.3720000     -0.9612000    
 H    6.381900      0.1358000      -1.894500    


%chk=000005411-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005411

0 1
O 2.726706 -0.029822 0.142885
O 2.118325 -2.282634 0.211341
N -3.643171 0.760961 -0.011516
N 6.428124 0.535919 0.053316
C -6.120058 0.715713 -0.046477
C -4.821627 -0.113717 -0.012933
C -7.385899 -0.170640 -0.050778
C -2.330780 0.312512 0.028662
C 4.976175 0.809419 -0.056353
C 4.148903 -0.455418 0.205444
C -8.689015 0.656172 -0.079857
C 0.390625 -0.563443 0.113322
C -1.253458 1.256207 0.026419
C -2.014438 -1.082268 0.073545
C 0.077968 0.825045 0.067616
C -0.676283 -1.501306 0.115515
C 1.777797 -1.070527 0.160861
C 7.213117 1.760598 0.307971
C 6.967157 -0.230813 -1.089669
H -6.148265 1.390427 0.833951
H -6.122087 1.360661 -0.949525
H -4.819438 -0.758715 0.892000
H -4.794247 -0.792426 -0.892675
H -7.355782 -0.846746 -0.928880
H -7.379283 -0.821650 0.846579
H -3.805162 1.767618 -0.045228
H 4.705851 1.560677 0.708044
H 4.693106 1.235534 -1.051973
H 4.366398 -0.869092 1.205855
H 4.315005 -1.249603 -0.543560
H -8.759983 1.317396 0.804125
H -9.579483 0.001956 -0.084114
H -8.734654 1.294493 -0.982186
H -1.479909 2.329571 -0.007926
H -2.814678 -1.828161 0.075452
H 0.894359 1.552773 0.065792
H -0.428062 -2.567678 0.151451
H 6.843806 2.257700 1.222368
H 7.171751 2.501325 -0.531504
H 8.272787 1.492638 0.470048
H 6.437048 -1.192168 -1.196503
H 8.033542 -0.455947 -0.910366
H 6.887108 0.319559 -2.062339


