%chk=000050942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050942

0 1
 O    3.132600     -0.7290000     -0.8591000    
 O    3.911400       1.229400      0.1762000    
 O  -0.2369000       2.268100      0.4768000    
 O   -4.401800      0.4145000     -0.6343000    
 N   0.7168000     -0.5586000      0.6955000    
 N   -2.638600      -1.036900     -0.1887000    
 N   -2.332300       1.363300     -8.1900001E-02
 N  -0.6025000      -2.318200      0.3303000    
 C    1.913200      0.1817000       1.017800    
 C    2.745700      0.4907000     -0.2116000    
 C  -0.5121000     -5.5300001E-02  0.3785000    
 C   -1.300000      -1.152500      0.1603000    
 C    4.544500     -0.8100000     -0.6657000    
 C    4.968900      0.6299000     -0.5699000    
 C  -0.9597000       1.295800      0.2767000    
 C   0.6123000      -1.925000      0.6533000    
 C   -3.215700      0.2504000     -0.3261000    
 C   -3.437600      -2.235600     -0.4111000    
 C   -2.908100       2.697200     -0.2171000    
 H    1.644500       1.089300       1.566500    
 H    2.490600     -0.4332000       1.720400    
 H    2.177800       1.089100     -0.9331000    
 H    5.018200      -1.349300      -1.489600    
 H    4.727000      -1.346500      0.2716000    
 H    5.927700      0.7677000     -6.4300001E-02
 H    5.004600       1.107000      -1.555300    
 H    1.448000      -2.577900      0.8658000    
 H   -4.468000      -1.987600     -0.6780000    
 H   -3.444500      -2.833500      0.5055000    
 H   -2.991500      -2.814200      -1.225900    
 H   -2.186600       3.493100     -1.9600000E-02
 H   -3.746100       2.788000      0.4815000    
 H   -3.298100       2.807500      -1.233900    


%chk=000050942-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050942

0 1
O 3.557874 -1.128423 -0.466433
O 4.026038 1.180092 -0.186943
O -0.483741 2.462884 0.499027
O -4.645405 0.397770 -0.317220
N 0.706628 -0.431028 0.393758
N -2.765584 -1.000318 -0.170179
N -2.561387 1.394337 0.086726
N -0.634835 -2.248645 0.026341
C 1.909462 0.385221 0.654341
C 2.949925 0.232452 -0.461216
C -0.605343 0.053776 0.244342
C -1.395431 -1.085772 0.022883
C 5.005528 -0.962117 -0.171425
C 5.278981 0.494823 -0.585385
C -1.139022 1.390426 0.297016
C 0.632308 -1.809637 0.253195
C -3.400610 0.263341 -0.145156
C -3.565457 -2.218423 -0.405488
C -3.257860 2.701692 0.108856
H 1.588652 1.439700 0.713435
H 2.370202 0.093160 1.613668
H 2.510275 0.387417 -1.467064
H 5.551355 -1.707903 -0.770805
H 5.194347 -1.123489 0.906677
H 6.098563 0.980190 -0.035006
H 5.435478 0.588171 -1.677588
H 1.514779 -2.441661 0.298060
H -4.612094 -1.908364 -0.537114
H -3.474559 -2.902455 0.454713
H -3.203522 -2.738458 -1.308000
H -2.496629 3.475733 0.283747
H -4.013674 2.713580 0.911057
H -3.771541 2.871328 -0.851319


