%chk=000096944.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096944

0 1
 O    3.962800       1.126500      6.9999998E-04
 N  -0.4858000      -2.076000     -3.0000001E-04
 C  -0.9248000      0.1102000     -3.9999999E-04
 C   0.4945000     -7.3200002E-02 -6.0000003E-04
 C   -1.508500      -1.156900       0.000000    
 C   0.7367000      -1.447000     -3.0000001E-04
 C   -1.768200       1.241100     -5.0000002E-04
 C    1.597600      0.8063000     -7.9999998E-04
 C   -2.894500      -1.352100      5.0000002E-04
 C   -3.156200       1.062000     -9.9999997E-05
 C    2.027600      -1.988100      1.9999999E-04
 C   -3.708800     -0.2164000      5.0000002E-04
 C    2.894400      0.2802000       0.000000    
 C    3.103800      -1.096800      5.0000002E-04
 C   -4.052100       2.255800      3.9999999E-04
 C    3.681400       2.524400      9.9999997E-05
 H  -0.6153000      -3.078200     -9.9999997E-05
 H   -1.339700       2.239900     -2.7000001E-03
 H    1.375400       1.866500     -1.2000001E-03
 H   -3.325400      -2.347800      3.9999999E-04
 H    2.191400      -3.060500      6.0000003E-04
 H   -4.788500     -0.3480000     -1.0000000E-03
 H    4.117100      -1.491700      1.2000001E-03
 H   -4.993300       2.043900      0.5192000    
 H   -3.585100       3.100400      0.5183000    
 H   -4.277800       2.555900      -1.027600    
 H    3.153000       2.830000      0.9096000    
 H    3.154200       2.829500     -0.9103000    
 H    4.643600       3.047200      6.0000003E-04


%chk=000096944-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096944

0 1
O 4.050951 1.109637 0.024750
N -0.504410 -2.151526 -0.022884
C -0.966921 0.107819 -0.005296
C 0.480927 -0.065288 -0.000561
C -1.545163 -1.208748 -0.019402
C 0.731842 -1.478313 -0.011694
C -1.817591 1.239990 0.000927
C 1.566008 0.847443 0.011893
C -2.943236 -1.399287 -0.027286
C -3.220360 1.072062 -0.006947
C 2.046150 -1.994901 -0.010597
C -3.761707 -0.251684 -0.020969
C 2.877997 0.325517 0.012980
C 3.114884 -1.081360 0.001813
C -4.156354 2.270352 -0.001269
C 3.880802 2.560846 0.037937
H -0.623813 -3.161221 -0.032256
H -1.392610 2.250994 0.011722
H 1.377449 1.924832 0.020260
H -3.385652 -2.401528 -0.037969
H 2.241429 -3.072516 -0.019096
H -4.851992 -0.374990 -0.026946
H 4.153296 -1.426054 0.003276
H -4.822999 2.259704 0.882083
H -3.595189 3.220730 0.015884
H -4.805584 2.281671 -0.897566
H 3.336419 2.896291 0.943276
H 3.344088 2.913697 -0.865356
H 4.900841 2.972932 0.046192


