%chk=000025330.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025330

0 1
 O   0.7764000      3.2800000E-02  -1.158300    
 O   0.1102000       1.686800      0.2975000    
 N    4.192200      0.1352000      0.2672000    
 C    2.125100      0.4921000      -1.058900    
 C    2.790600     -0.2318000      0.1168000    
 C    2.829800      0.2278000      -2.395500    
 C    4.318700       1.422500      0.9540000    
 C    4.922700     -0.9025000      0.9980000    
 C   -1.540300      0.1655000     -0.6707000    
 C  -0.1445000      0.7274000     -0.4196000    
 C    2.158700      0.9528000      -3.555700    
 C   -2.641300      0.9959000     -2.3100000E-02
 C   -1.676200      -1.315600     -0.3433000    
 C    5.773300       1.849000       1.057200    
 C    4.384000      -1.062400       2.409600    
 C   -3.057200      0.7098000       1.277300    
 C   -2.585500      -2.105000      -1.047500    
 C   -3.233000       2.042700     -0.7303000    
 C  -0.8911000      -1.883000      0.6604000    
 C   -4.064900       1.470200       1.870400    
 C   -2.709900      -3.461600     -0.7478000    
 C   -4.240800       2.803100     -0.1369000    
 C   -1.015500      -3.239700      0.9600000    
 C   -4.656600       2.516800       1.163400    
 C   -1.924900      -4.028900      0.2558000    
 H    2.136100       1.577200     -0.8980000    
 H    2.210100     -5.0099999E-02   1.030700    
 H    2.690600      -1.309200     -7.8800000E-02
 H    3.877600      0.5443000      -2.348900    
 H    2.818000     -0.8470000      -2.613700    
 H    3.819700       2.194000      0.3557000    
 H    3.835600       1.455800       1.936900    
 H    4.823900      -1.857600      0.4655000    
 H    6.001100     -0.7133000       1.014100    
 H   -1.674400      0.2563000      -1.760400    
 H    1.129200      0.6105000      -3.699600    
 H    2.707000      0.7651000      -4.484400    
 H    2.142000       2.033800      -3.384200    
 H    5.825400       2.903400       1.351300    
 H    6.292300       1.754200      9.7000003E-02
 H    6.324700       1.284800       1.815200    
 H    4.901800      -1.904400       2.885300    
 H    3.318500      -1.305200       2.448100    
 H    4.576200     -0.1960000       3.048200    
 H   -2.607100     -8.1400000E-02   1.867500    
 H   -3.203400      -1.675000      -1.831300    
 H   -2.917000       2.278300      -1.742900    
 H  -0.1863000      -1.291000       1.237200    
 H   -4.385600       1.251000       2.884700    
 H   -3.418300      -4.076000      -1.295700    
 H   -4.701000       3.618700     -0.6869000    
 H  -0.4069000      -3.680800       1.744000    
 H   -5.440300       3.109800       1.625800    
 H   -2.022400      -5.085000      0.4897000    


%chk=000025330-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000025330

0 1
O 0.751019 0.151733 -1.177797
O 0.254528 0.649891 1.045732
N 4.284178 0.165966 0.144677
C 2.145197 0.703197 -0.992083
C 3.040220 -0.417557 -0.405603
C 2.602901 1.199839 -2.365556
C 4.126464 0.627243 1.549727
C 5.514641 -0.610908 -0.143752
C -1.460072 -0.402400 -0.426034
C -0.086197 0.179468 -0.066922
C 1.834249 2.442010 -2.860422
C -2.505050 0.732274 -0.409145
C -1.854629 -1.597470 0.456707
C 5.208245 1.632691 1.984511
C 5.642823 -1.988447 0.564141
C -3.006702 1.259096 0.806841
C -2.636954 -2.626779 -0.128084
C -2.961466 1.275359 -1.635691
C -1.506659 -1.700057 1.827708
C -3.952142 2.307686 0.792817
C -3.066903 -3.733237 0.636069
C -3.910149 2.323173 -1.650792
C -1.933474 -2.810388 2.591617
C -4.408952 2.842655 -0.434747
C -2.715711 -3.829365 2.002713
H 2.074008 1.535077 -0.266672
H 2.460210 -0.982500 0.359646
H 3.294298 -1.130116 -1.212914
H 3.682624 1.425922 -2.270541
H 2.501120 0.371691 -3.094644
H 3.134244 1.109197 1.626926
H 4.103616 -0.230831 2.266837
H 5.561101 -0.761209 -1.239755
H 6.387456 0.015570 0.118375
H -1.375824 -0.758832 -1.466946
H 0.752067 2.232234 -2.933566
H 2.189909 2.758016 -3.857905
H 1.968526 3.294173 -2.168032
H 4.980085 2.022059 2.993734
H 5.245970 2.482660 1.280131
H 6.213051 1.174283 2.025598
H 6.575038 -2.493208 0.248492
H 4.795370 -2.651293 0.309141
H 5.674139 -1.881890 1.663616
H -2.660223 0.847720 1.760190
H -2.915746 -2.556705 -1.186937
H -2.572963 0.877554 -2.581569
H -0.893676 -0.918527 2.288505
H -4.334271 2.707104 1.739116
H -3.670606 -4.518317 0.166752
H -4.257730 2.731009 -2.606755
H -1.653443 -2.877820 3.649162
H -5.144979 3.654466 -0.442740
H -3.045677 -4.688059 2.598224


