%chk=000031016.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031016

0 1
 O   -1.457100      -2.324400      0.2656000    
 O   -1.763300       2.433400     -0.1897000    
 O   -2.963600     -1.8000000E-03  0.3585000    
 N    4.836900      0.4911000     -0.1589000    
 C    2.524700      0.2271000     -0.9409000    
 C    3.442000      0.4029000      0.2831000    
 C    1.056800      0.1658000     -0.5926000    
 C   0.3194000       1.338200     -0.5516000    
 C   0.4739000      -1.061700     -0.3215000    
 C    3.323900     -0.7548000       1.274600    
 C  -0.8823000      -1.118300     -6.9999998E-04
 C   -1.036800       1.281700     -0.2307000    
 C   -1.637600      5.3399999E-02  4.4900000E-02
 C  -0.6145000      -3.473000      0.1974000    
 C   -1.823300       3.117700       1.060300    
 C   -3.799000     -0.7772000     -0.4979000    
 H    2.800200     -0.6800000      -1.497300    
 H    2.685000       1.054300      -1.646600    
 H    3.189800       1.334000      0.8042000    
 H   0.7857000       2.296600     -0.7645000    
 H    1.109600      -1.938100     -0.3790000    
 H    4.069100     -0.6590000       2.073200    
 H    3.480700      -1.723900      0.7877000    
 H    2.344900     -0.7660000       1.763400    
 H    4.933600       1.246600     -0.8365000    
 H    5.097700     -0.3631000     -0.6507000    
 H  -0.2291000      -3.631300     -0.8156000    
 H   -1.235100      -4.342000      0.4397000    
 H   0.1833000      -3.434100      0.9470000    
 H  -0.8222000       3.429000       1.375200    
 H   -2.277700       2.481800       1.826600    
 H   -2.443100       4.009400      0.9333000    
 H   -3.407200     -0.8324000      -1.519600    
 H   -4.781200     -0.2967000     -0.5352000    
 H   -3.929900      -1.781500     -8.5299999E-02


%chk=000031016-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031016

0 1
O -1.620782 -2.323577 0.243389
O -1.489192 2.537481 -0.124282
O -2.928278 0.127832 0.455991
N 5.027025 0.651363 -0.281495
C 2.672110 0.017188 -1.016303
C 3.621987 0.481679 0.149406
C 1.195335 0.025257 -0.654756
C 0.502911 1.249517 -0.519928
C 0.501609 -1.185150 -0.400027
C 3.578552 -0.491439 1.342493
C -0.863028 -1.168566 -0.029557
C -0.863033 1.276499 -0.155546
C -1.570944 0.065626 0.078087
C -0.925624 -3.611638 0.198918
C -2.180710 2.907658 1.130159
C -3.883098 -0.515038 -0.473646
H 2.989697 -0.997365 -1.331248
H 2.850221 0.694714 -1.875703
H 3.262671 1.472106 0.493476
H 0.998897 2.206974 -0.711059
H 1.039781 -2.133820 -0.490402
H 4.218155 -0.116008 2.159120
H 3.952862 -1.491592 1.043535
H 2.548067 -0.612290 1.717562
H 5.152450 1.328189 -1.042901
H 5.499522 -0.236918 -0.487100
H -0.537182 -3.827754 -0.815512
H -1.686839 -4.357479 0.471674
H -0.093896 -3.642951 0.928987
H -1.448702 2.984073 1.957942
H -2.961822 2.171151 1.379738
H -2.623437 3.895925 0.931836
H -3.812262 -0.052936 -1.476645
H -4.877725 -0.325479 -0.041320
H -3.691099 -1.599531 -0.534982


