%chk=000100350.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100350

0 1
 O   -1.304600       2.973000      7.9400003E-02
 O   0.8517000       2.539400      6.3299999E-02
 O   0.7381000      -3.761400     -9.9100001E-02
 O    2.270100      -2.183600     -6.3100003E-02
 N    1.746000      0.1979000      6.0000003E-04
 N   -3.628900      -1.057200     -1.7300000E-02
 N   -3.123700       1.106600      3.7099998E-02
 N  -0.3455000       2.164800      5.6200001E-02
 N    1.075100      -2.556200     -6.8700001E-02
 C    2.468900      0.3776000       1.264000    
 C    2.460700      0.4461000      -1.256100    
 C    3.961400      0.1212000       1.067400    
 C    3.568900       1.475600      -1.046700    
 C    4.575400       1.038900      1.3900000E-02
 C   0.4093000     -0.1956000     -6.0999999E-03
 C  -0.6253000      0.7736000      2.1500001E-02
 C   5.2700002E-02  -1.564000     -4.0100001E-02
 C   -1.968100      0.3601000      1.4600000E-02
 C   -2.258700      -1.001000     -1.9600000E-02
 C   -1.278400      -1.993600     -4.7600001E-02
 C   -4.099100      0.2260000      1.7200001E-02
 C   -5.545800      0.5117000      2.9300001E-02
 H    2.090800     -0.3187000       2.022900    
 H    2.317300       1.387000       1.660900    
 H    1.769100      0.8288000      -2.017200    
 H    2.888600     -0.4782000      -1.658500    
 H    4.142200     -0.9188000      0.7778000    
 H    4.488000      0.2592000       2.019200    
 H    3.145800       2.442000     -0.7541000    
 H    4.092600       1.654200      -1.993300    
 H    4.995800       1.931200      0.4933000    
 H    5.418100      0.5212000     -0.4600000    
 H   -1.570300      -3.037900     -7.3700003E-02
 H   -4.189000      -1.899200     -3.7400000E-02
 H   -6.027900      0.1113000     -0.8680000    
 H   -6.021900      6.6000000E-02  0.9083000    
 H   -5.726600       1.590900      5.7399999E-02


%chk=000100350-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100350

0 1
O -0.926742 2.565337 1.774182
O 0.304099 2.813396 -0.133221
O 0.687420 -3.586749 -1.476363
O 2.060015 -2.663221 0.092740
N 1.789412 0.205484 0.007374
N -3.683735 -1.039739 -0.326903
N -3.144305 0.979246 0.590105
N -0.385140 2.098142 0.703229
N 1.002474 -2.626662 -0.657469
C 2.319509 1.126629 1.051199
C 2.774687 -0.236680 -1.015519
C 3.803451 0.805086 1.314647
C 3.819067 0.874012 -1.241863
C 4.658574 1.103897 0.048787
C 0.459396 -0.191920 -0.033266
C -0.612654 0.681199 0.368683
C 0.055795 -1.507186 -0.514458
C -1.966487 0.275446 0.284785
C -2.280710 -0.996820 -0.305726
C -1.292804 -1.886109 -0.719189
C -4.152078 0.163161 0.213695
C -5.607439 0.479640 0.350846
H 1.717718 0.993895 1.968445
H 2.220254 2.184802 0.734841
H 2.227290 -0.465653 -1.948718
H 3.280299 -1.169542 -0.693384
H 3.895913 -0.257799 1.605015
H 4.150480 1.408814 2.172764
H 3.300718 1.804019 -1.540599
H 4.470800 0.580287 -2.084747
H 5.021573 2.148055 0.070234
H 5.552083 0.452587 0.045819
H -1.495713 -2.878210 -1.129435
H -4.258500 -1.807319 -0.670366
H -6.118316 0.485263 -0.629757
H -6.124733 -0.252620 0.998000
H -5.708868 1.476731 0.803294


