%chk=000114423.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114423

0 1
 O   0.4175000      0.6679000      -1.368900    
 O    1.961900       1.799200      -2.668100    
 N   -4.467300       1.505500     -7.5599998E-02
 C   0.3201000      0.1288000     -9.4999997E-03
 C  -0.7794000      0.9497000      0.6791000    
 C    1.668600      0.4622000      0.5357000    
 C   -2.112200      0.8265000     -5.8200002E-02
 C   5.3399999E-02  -1.371100     -6.7599997E-02
 C    2.415000       1.122300     -0.4225000    
 C   -3.209000       1.617700      0.6525000    
 C    1.621900       1.264500      -1.631900    
 C    2.209600      0.2159000       1.787700    
 C  -0.5292000      -2.018600       1.021800    
 C   0.3925000      -2.096000      -1.210000    
 C    3.708500       1.557300     -0.1973000    
 C    3.516000      0.6424000       2.046100    
 C    4.260700       1.308500       1.059100    
 C  -0.7730000      -3.391100      0.9689000    
 C   0.1488000      -3.468300      -1.263100    
 C   -5.514900       2.288600      0.5821000    
 C   -4.875500      0.1040000     -0.1867000    
 C  -0.4339000      -4.115900     -0.1735000    
 H  -0.8960000      0.6750000       1.734000    
 H  -0.4990000       2.013100      0.6772000    
 H   -2.013500       1.190000      -1.088600    
 H   -2.375200     -0.2325000     -0.1086000    
 H   -3.314700       1.263200       1.686400    
 H   -2.905800       2.671300      0.7001000    
 H    1.640300     -0.2937000       2.557600    
 H  -0.7897000      -1.488500       1.932200    
 H   0.8568000      -1.625800      -2.071700    
 H    4.278600       2.073600     -0.9612000    
 H    3.960000      0.4586000       3.020800    
 H    5.274100       1.633300       1.278400    
 H   -1.223000      -3.896300       1.818500    
 H   0.4151000      -4.033700      -2.151400    
 H   -5.725900       1.928200       1.595500    
 H   -5.225300       3.343600      0.6441000    
 H   -6.444100       2.254100      2.2000000E-03
 H   -4.267900     -0.4428000     -0.9142000    
 H   -4.852200     -0.4191000      0.7763000    
 H   -5.899700      3.5399999E-02 -0.5742000    
 H  -0.6221000      -5.184700     -0.2143000    


%chk=000114423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114423

0 1
O 0.461419 0.629957 -1.468524
O 2.029334 1.785853 -2.763104
N -4.572910 1.517285 -0.043077
C 0.346809 0.107247 -0.058248
C -0.807952 0.896618 0.616338
C 1.708523 0.466231 0.550191
C -2.174161 0.722883 -0.079506
C 0.108757 -1.410134 -0.114545
C 2.485326 1.151666 -0.407049
C -3.276540 1.496250 0.672866
C 1.724194 1.264524 -1.676699
C 2.221399 0.227095 1.838372
C -0.261899 -2.114661 1.060249
C 0.282312 -2.131809 -1.320266
C 3.782912 1.622352 -0.122002
C 3.522973 0.697132 2.139173
C 4.298959 1.388981 1.171595
C -0.446666 -3.514076 1.030995
C 0.095883 -3.532390 -1.348612
C -5.506993 2.500019 0.542410
C -5.195146 0.184570 -0.173121
C -0.265600 -4.230484 -0.174496
H -0.875233 0.577623 1.676150
H -0.521212 1.966119 0.625387
H -2.113842 1.099249 -1.116032
H -2.421754 -0.353516 -0.132778
H -3.384215 1.070864 1.709609
H -2.951579 2.549018 0.793406
H 1.644163 -0.317104 2.592816
H -0.420940 -1.577392 2.002590
H 0.542782 -1.590379 -2.233700
H 4.359319 2.149294 -0.889304
H 3.941770 0.520281 3.136122
H 5.303058 1.738932 1.433511
H -0.734075 -4.042958 1.946706
H 0.230059 -4.076207 -2.290353
H -5.810938 2.257312 1.594019
H -5.040884 3.501727 0.544662
H -6.424180 2.552578 -0.071448
H -4.537540 -0.495292 -0.739893
H -5.422202 -0.293232 0.815950
H -6.143055 0.276604 -0.732835
H -0.409534 -5.316331 -0.198327


