%chk=000060017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060017

0 1
 O   0.8258000      0.7381000      1.2900000E-02
 O   -4.889100     -0.5927000       1.294200    
 N    1.897000      -1.354600     -0.1627000    
 C    2.026500      7.9200000E-02 -0.4343000    
 C    3.208900      0.6851000      0.3061000    
 C  -7.1300000E-02 -0.3141000      0.4162000    
 C   0.4563000      -1.569000     -0.2696000    
 C    3.229900       2.204000      8.1600003E-02
 C    3.078200      0.3920000       1.807600    
 C    4.513300      7.1900003E-02 -0.2232000    
 C   -1.497200      8.9999996E-03  5.0799999E-02
 C    2.647900      -2.187800      -1.091300    
 C   -2.548000     -0.4460000      0.8514000    
 C   -1.774900      0.7641000      -1.091500    
 C   -3.867800     -0.1477000      0.5121000    
 C   -3.094600       1.062000      -1.431100    
 C   -4.141000      0.6063000     -0.6292000    
 H    2.089900      0.2823000      -1.512300    
 H   2.1299999E-02 -0.3980000       1.507300    
 H   0.1251000      -2.483300      0.2333000    
 H   0.1367000      -1.610900      -1.319700    
 H    2.338400       2.693400      0.4890000    
 H    4.097500       2.662400      0.5701000    
 H    3.287400       2.444500     -0.9861000    
 H    3.089200     -0.6796000       2.034100    
 H    2.162900      0.8188000       2.231700    
 H    3.918100      0.8364000       2.355700    
 H    4.521600     -8.1000002E-03  -1.315400    
 H    5.366200      0.7071000      4.8799999E-02
 H    4.733800     -0.8998000      0.2270000    
 H    2.318400      -3.230000     -0.9946000    
 H    3.717700      -2.220000     -0.8935000    
 H    2.492500      -1.897700      -2.137000    
 H   -2.334700      -1.035800       1.739800    
 H  -0.9770000       1.121700      -1.736800    
 H   -3.307600       1.647000      -2.321000    
 H   -5.166900      0.8413000     -0.8993000    
 H   -4.519200      -1.096500       2.039500    


%chk=000060017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060017

0 1
O 0.849768 0.730629 -0.277215
O -4.877763 -0.432707 1.569006
N 1.952544 -1.370590 -0.427451
C 2.168252 0.105618 -0.555812
C 3.256706 0.699621 0.393785
C -0.034444 -0.307044 0.309808
C 0.485682 -1.599762 -0.354724
C 3.364010 2.217941 0.091723
C 2.864861 0.478646 1.874340
C 4.620178 0.016916 0.111986
C -1.486252 0.018067 0.016508
C 2.606888 -2.192917 -1.464634
C -2.480738 -0.338520 0.958700
C -1.865194 0.632536 -1.201226
C -3.845358 -0.096417 0.672887
C -3.231191 0.877710 -1.469032
C -4.230459 0.512205 -0.542592
H 2.421577 0.386547 -1.607338
H 0.135283 -0.357331 1.404961
H 0.253262 -2.501951 0.239016
H 0.024963 -1.709010 -1.365764
H 2.385792 2.711246 0.226224
H 4.096296 2.694413 0.769705
H 3.699724 2.397925 -0.948421
H 2.693318 -0.595284 2.069668
H 1.948638 1.042203 2.126618
H 3.675505 0.830263 2.539412
H 4.901104 0.087556 -0.957276
H 5.415289 0.514522 0.697873
H 4.597493 -1.047886 0.404834
H 2.441677 -3.262014 -1.241857
H 3.693825 -2.016672 -1.470452
H 2.212793 -1.988687 -2.491587
H -2.189412 -0.798597 1.914019
H -1.086942 0.939041 -1.905843
H -3.524304 1.361620 -2.407342
H -5.291762 0.695456 -0.734141
H -4.510409 -0.840292 2.392236


