%chk=000094594.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094594

0 1
 O    5.887200      -1.192600      0.2871000    
 N    5.270400     -2.2900000E-02 -7.8599997E-02
 C    1.114600      0.4348000     -3.0099999E-02
 C   -2.692300     -0.2614000     -1.3300000E-02
 C  -0.3501000      0.5955000     -1.3200000E-02
 C    1.667000     -0.7840000      0.3286000    
 C    1.910600       1.505100     -0.4043000    
 C   -1.246700     -0.4185000     -4.9300000E-02
 C    3.868400      0.1316000     -6.1200000E-02
 C    3.053500     -0.9367000      0.3131000    
 C    3.297000       1.352400     -0.4201000    
 C   -3.253600      0.9192000      0.4735000    
 C   -3.517400      -1.291300     -0.4652000    
 C   -4.640000       1.069700      0.5081000    
 C   -4.903600      -1.140700     -0.4308000    
 C   -5.465000      3.9799999E-02  5.5799998E-02
 H  -0.6826000       1.629700      1.4400000E-02
 H    1.073500      -1.634600      0.6484000    
 H    1.480800       2.462100     -0.6880000    
 H  -0.9105000      -1.448600     -0.1299000    
 H    3.474300      -1.896400      0.6010000    
 H    3.921600       2.192000     -0.7143000    
 H   -2.653900       1.739300      0.8569000    
 H   -3.098700      -2.218500     -0.8492000    
 H   -5.078000       1.986600      0.8918000    
 H   -5.546100      -1.942500     -0.7828000    
 H   -6.544400      0.1566000      8.3800003E-02
 H    5.866900      0.7528000     -0.3373000    
 H    6.341500      -1.444200     -0.5348000    


%chk=000094594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094594

0 1
O 5.977886 -1.210064 0.205045
N 5.399615 0.066281 -0.250579
C 1.129222 0.389442 -0.051675
C -2.744407 -0.213975 -0.000843
C -0.326595 0.574701 -0.017221
C 1.767020 -0.885879 -0.105058
C 1.975781 1.537430 -0.024413
C -1.286216 -0.405915 -0.034610
C 3.986093 0.146056 -0.119706
C 3.165054 -1.013163 -0.141111
C 3.376108 1.428733 -0.051808
C -3.371611 1.067057 0.060150
C -3.588541 -1.363359 -0.029773
C -4.774413 1.186486 0.090373
C -4.993436 -1.244640 0.000539
C -5.596634 0.032840 0.060800
H -0.652732 1.624240 0.025342
H 1.160685 -1.798226 -0.114080
H 1.519747 2.534088 0.025312
H -0.963836 -1.456402 -0.077952
H 3.636350 -1.999345 -0.158619
H 3.996892 2.333045 -0.030583
H -2.759262 1.975305 0.084713
H -3.128695 -2.358782 -0.076673
H -5.233348 2.180874 0.137522
H -5.617259 -2.145412 -0.022693
H -6.687584 0.130536 0.084486
H 5.919560 0.819660 0.220665
H 6.358958 -1.597314 -0.627450


