%chk=000145690.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145690

0 1
 O   -4.996500      0.2923000     -1.4000000E-03
 O   -4.195900      -1.751800     -1.9999999E-04
 N   0.7317000      -1.219900      3.0000001E-04
 N    1.157200       1.501200       0.000000    
 N   -4.029500     -0.5078000     -9.9999997E-05
 C  -0.3085000     -0.3713000      3.9999999E-04
 C  -9.2399999E-02   1.010600      9.9999997E-05
 C    1.981100     -0.7294000       0.000000    
 C    2.197300      0.6525000       0.000000    
 C   -1.615100     -0.8552000      6.9999998E-04
 C   -1.189000       1.870200       0.000000    
 C   -2.707800      9.8999999E-03  7.9999998E-04
 C   -2.493500       1.380000      3.9999999E-04
 C    3.077700      -1.589200     -1.9999999E-04
 C    3.504100       1.136200     -9.9999997E-05
 C    4.382300      -1.099200     -3.9999999E-04
 C    4.596700      0.2710000     -3.0000001E-04
 H   -1.757300      -1.934900      6.9999998E-04
 H   -1.032800       2.947100     -3.0000001E-04
 H   -3.311000       2.095800      9.9999997E-05
 H    2.921900      -2.666200     -1.9999999E-04
 H    3.684800       2.209300     -9.9999997E-05
 H    5.223300      -1.785600     -6.0000003E-04
 H    5.607200      0.6677000     -3.0000001E-04


%chk=000145690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145690

0 1
O -5.057704 0.340510 -0.000487
O -4.269264 -1.800140 -0.000168
N 0.732945 -1.293739 0.000073
N 1.178248 1.578064 -0.000069
N -4.095616 -0.521889 0.000321
C -0.308337 -0.400367 0.000103
C -0.084498 1.047114 0.000029
C 1.995845 -0.763566 -0.000029
C 2.221549 0.687248 -0.000100
C -1.648975 -0.905547 0.000200
C -1.219399 1.930527 0.000046
C -2.703741 0.000068 0.000235
C -2.511271 1.424133 0.000139
C 3.127583 -1.649283 -0.000061
C 3.568366 1.184472 -0.000200
C 4.417857 -1.129127 -0.000160
C 4.639019 0.294975 -0.000231
H -1.821973 -1.984349 0.000272
H -1.023789 3.006580 -0.000010
H -3.390565 2.072437 0.000145
H 2.931615 -2.725668 -0.000003
H 3.711146 2.269172 -0.000253
H 5.280792 -1.803313 -0.000184
H 5.666166 0.674986 -0.000309


