%chk=000100094.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100094

0 1
 O  -0.8553000     -3.8100000E-02  -2.277300    
 O   -2.441100      -2.293600      0.9551000    
 O   -1.315700      -4.124900      0.2547000    
 O   -4.579100     -3.2200001E-02   1.024400    
 O   -3.848900       2.089200       1.379500    
 N  -0.7255000     -0.5824000     -2.2900000E-02
 N    3.832500     -0.6479000      -1.194900    
 N  -0.2723000       2.564100      -1.114400    
 C    1.019200      -2.238900      0.5041000    
 C  -0.3251000      -1.961700     -0.1833000    
 C    2.135700      -1.371100     -4.4000000E-03
 C    2.501100     -0.1140000      0.5136000    
 C   -1.337000       1.677900     -0.6407000    
 C    3.579600      0.3268000     -0.2562000    
 C   -2.679300       2.137800      -1.229100    
 C    2.953600      -1.686900      -1.045400    
 C  -0.9588000      0.2704000      -1.091700    
 C   -1.390800      -2.904800      0.3562000    
 C    2.033700      0.7071000       1.559000    
 C   -3.849500       1.220700     -0.8735000    
 C    4.216600       1.552600     -3.2200001E-02
 C    2.661000       1.935800       1.794800    
 C    3.735500       2.350100       1.010200    
 C   -4.090200       1.164100      0.6144000    
 H   0.9180000      -2.100800       1.589200    
 H    1.294000      -3.293300      0.3668000    
 H  -0.2434000      -2.174100      -1.256300    
 H   -1.361200       1.737700      0.4518000    
 H  -0.8818000     -0.2499000      0.9239000    
 H   -2.613000       2.180700      -2.324500    
 H   -2.896500       3.159000     -0.8893000    
 H    3.001100      -2.546700      -1.698900    
 H    4.561700     -0.6022000      -1.893200    
 H    1.199200      0.4002000       2.183000    
 H   -3.664600      0.2082000      -1.248000    
 H   -4.768200       1.587600      -1.343800    
 H    5.053000       1.876100     -0.6425000    
 H  -0.2614000       2.580200      -2.134100    
 H  -0.4720000       3.520900     -0.8242000    
 H    2.304800       2.573100       2.599700    
 H    4.207900       3.308400       1.210800    
 H   -3.103100      -2.938800       1.283100    
 H   -4.717100     -5.8400001E-02   1.995200    


%chk=000100094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100094

0 1
O -0.698424 -0.235495 -2.644702
O -2.639662 -2.422007 0.027769
O -0.908031 -3.682315 0.904736
O -5.254607 1.810988 1.019035
O -3.063975 1.149205 1.330133
N -1.091523 -0.236426 -0.347609
N 3.371630 0.694712 -0.965531
N -1.466742 2.375688 -2.824557
C 0.807331 -1.333367 0.889639
C -0.370866 -1.487725 -0.109553
C 1.951044 -0.494807 0.373172
C 3.095205 -0.073603 1.164925
C -2.023845 1.610497 -1.703074
C 3.970699 0.673914 0.298216
C -3.551339 1.301882 -1.886537
C 2.156650 -0.006553 -0.918452
C -1.213083 0.300238 -1.606528
C -1.286552 -2.633083 0.342564
C 3.466618 -0.256626 2.523719
C -4.245081 0.493779 -0.743800
C 5.184743 1.235280 0.751308
C 4.676323 0.300985 2.982054
C 5.526083 1.039555 2.105502
C -4.098206 1.150651 0.608556
H 0.417312 -0.901014 1.834746
H 1.158732 -2.351863 1.144298
H 0.030262 -1.796985 -1.099020
H -1.888896 2.178540 -0.763096
H -1.563842 0.237456 0.439997
H -3.676790 0.730900 -2.825965
H -4.073136 2.270484 -2.017539
H 1.526858 -0.090654 -1.803779
H 3.736085 1.170581 -1.787290
H 2.825165 -0.824735 3.207440
H -3.790312 -0.510604 -0.677922
H -5.317324 0.390577 -0.976519
H 5.841843 1.802115 0.081988
H -1.124353 1.772650 -3.580663
H -2.023973 3.175659 -3.131462
H 4.975249 0.167713 4.027852
H 6.461196 1.460813 2.491582
H -3.152786 -3.229119 0.307929
H -5.098377 2.240117 1.905139


