%chk=000139072.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139072

0 1
 O   -3.602700       2.738700     -4.6999999E-03
 O    8.683000     -0.9244000      6.6000000E-03
 O    7.769200       1.154300      4.6399999E-02
 O   -5.626100      -2.453500      4.1999999E-03
 O   -6.288100     -0.3605000      7.9999998E-04
 N   0.1455000      0.4971000      4.4000000E-03
 N   -2.273600       2.351300     -2.9000000E-03
 N   -4.457300       1.649700     -2.0000001E-03
 N   -5.369900      -1.221400      3.1999999E-03
 C    2.571300      0.3202000     -2.7400000E-02
 C    3.797600     -0.5963000     -2.7600000E-02
 C    1.246800     -0.4375000      8.5000005E-03
 C    5.124900      0.1646000     -3.2099999E-02
 C    6.313900     -0.7961000     -1.8900000E-02
 C   -1.186300      0.1154000      4.0000002E-03
 C   -2.282300       1.012400      7.9999998E-04
 C   -1.577200      -1.244900      7.6000001E-03
 C   -3.670400      0.5664000      1.4000000E-03
 C   -4.023500     -0.7955000      5.1000002E-03
 C   -2.928800      -1.679200      8.1000002E-03
 C    7.633900     -6.0800001E-02  1.4600000E-02
 H    2.601400      0.9606000     -0.9185000    
 H    2.626700      0.9940000      0.8375000    
 H    3.753500      -1.253000     -0.9054000    
 H    3.757500      -1.245600      0.8559000    
 H    1.211800      -1.059500      0.9107000    
 H    1.189900      -1.094900     -0.8672000    
 H    5.178400      0.8096000     -0.9177000    
 H    5.171800      0.8250000      0.8427000    
 H   0.3424000       1.491900      3.5000001E-03
 H    6.262700      -1.439500      0.8665000    
 H    6.294300      -1.422400     -0.9177000    
 H  -0.8221000      -2.030300      1.1300000E-02
 H   -3.099600      -2.755700      1.0900000E-02
 H    9.543600     -0.4540000      2.8700000E-02


%chk=000139072-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139072

0 1
O -3.433315 2.845997 -0.011360
O 8.761308 -0.864651 -0.024076
O 7.816780 1.257103 0.003796
O -5.672774 -2.464337 0.005905
O -6.351431 -0.276022 -0.001750
N 0.088864 0.411192 -0.002669
N -2.098057 2.326133 -0.009263
N -4.437265 1.782353 -0.008200
N -5.433110 -1.187567 0.001151
C 2.565402 0.302613 -0.007323
C 3.804226 -0.620120 -0.004215
C 1.248179 -0.495272 0.000520
C 5.126984 0.176260 -0.010862
C 6.358380 -0.748712 -0.008642
C -1.213731 -0.008265 -0.001439
C -2.270340 0.985008 -0.004989
C -1.634081 -1.359594 0.002952
C -3.685596 0.641012 -0.004302
C -4.044164 -0.749883 0.000077
C -3.012729 -1.702363 0.003595
C 7.668318 0.016408 -0.008537
H 2.595691 0.955596 -0.902850
H 2.599701 0.966534 0.880042
H 3.768436 -1.288144 -0.889638
H 3.771547 -1.277958 0.888943
H 1.207526 -1.147148 0.897941
H 1.203390 -1.157784 -0.888784
H 5.165901 0.836568 -0.898120
H 5.169741 0.845463 0.869461
H 0.261762 1.420149 -0.004055
H 6.356797 -1.415960 0.875701
H 6.358081 -1.420871 -0.888958
H -0.893649 -2.162769 0.006245
H -3.312040 -2.755200 0.007093
H 9.607468 -0.339566 -0.022089


