%chk=000005712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005712

0 1
 O   -3.330300     -7.6800004E-02 -8.5900001E-02
 O   -5.672700     -0.8986000      -1.953900    
 N    1.111000      0.2717000       1.059000    
 N   0.1295000     -0.6443000       1.112800    
 C   0.7323000       1.468400      0.5128000    
 C  -0.6098000       1.312700      0.1845000    
 C  -0.9157000     -7.4000000E-03  0.5798000    
 C    2.422600     -7.2200000E-02   1.558100    
 C   -2.228800     -0.6673000      0.4458000    
 C    1.440300       2.650100      0.2836000    
 C    3.282500     -0.6686000      0.4769000    
 C   -1.302400       2.382700     -0.4061000    
 C   0.7370000       3.706500     -0.3044000    
 C  -0.6109000       3.577000     -0.6446000    
 C   -2.509700      -1.955000      0.8364000    
 C   -4.327400     -0.9984000     -3.4299999E-02
 C    4.073100      0.1626000     -0.3052000    
 C    3.274000      -2.042200      0.2754000    
 C   -3.873400      -2.170500      0.5246000    
 C    4.870100     -0.3904000      -1.307500    
 C    4.071100      -2.595200     -0.7268000    
 C   -5.631900     -0.5754000     -0.5626000    
 C    4.869300      -1.769300      -1.518300    
 H    2.297400     -0.7739000       2.392300    
 H    2.884900      0.8259000       1.983700    
 H    2.482100       2.766200      0.5568000    
 H   -2.350200       2.304600     -0.6783000    
 H    1.249200       4.646000     -0.4970000    
 H   -1.132400       4.415000      -1.100000    
 H   -1.831300      -2.664400       1.289900    
 H    4.097400       1.235500     -0.1468000    
 H    2.655700      -2.694800      0.8854000    
 H   -4.451000      -3.069200      0.6875000    
 H   -6.460600      -1.082600     -5.9400000E-02
 H   -5.775300      0.5042000     -0.4589000    
 H    5.493900      0.2522000      -1.921900    
 H    4.070200      -3.668800     -0.8910000    
 H    5.490600      -2.199800      -2.298200    
 H   -5.663900      -1.868300      -2.030800    


%chk=000005712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005712

0 1
O -3.465817 -0.143748 0.139389
O -5.989230 -0.472649 -1.706324
N 1.078251 0.069683 1.011994
N 0.001849 -0.787442 1.252100
C 0.698537 1.190548 0.276861
C -0.710253 1.056567 0.030042
C -1.082295 -0.194525 0.660363
C 2.401098 -0.275690 1.542311
C -2.380083 -0.831905 0.727362
C 1.448346 2.298209 -0.187506
C 3.440659 -0.579466 0.464634
C -1.393742 2.061871 -0.704394
C 0.747591 3.281692 -0.908065
C -0.654785 3.166617 -1.164021
C -2.835144 -2.031733 1.269595
C -4.615757 -0.949782 0.323377
C 4.747909 -0.046378 0.566933
C 3.123432 -1.427871 -0.625907
C -4.250522 -2.103589 1.009779
C 5.729620 -0.358774 -0.401835
C 4.100107 -1.735588 -1.597230
C -5.906824 -0.445482 -0.226572
C 5.407136 -1.203731 -1.487635
H 2.232782 -1.160313 2.181353
H 2.761077 0.544341 2.192995
H 2.525054 2.380216 -0.011660
H -2.464142 1.968638 -0.904429
H 1.289240 4.154834 -1.288859
H -1.157552 3.955569 -1.733687
H -2.217315 -2.760322 1.788592
H 5.002156 0.614010 1.406083
H 2.110302 -1.837847 -0.713126
H -4.924744 -2.907748 1.300358
H -6.729511 -1.037579 0.223577
H -6.059035 0.618360 0.020450
H 6.738355 0.059711 -0.312218
H 3.844604 -2.389524 -2.438506
H 6.164233 -1.443770 -2.242390
H -5.699087 -1.367510 -2.020385


