%chk=000017801.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017801

0 1
 O   -4.112500      -1.971900     -0.1028000    
 N   1.6799999E-02  -1.674400      5.8100000E-02
 C   -1.575900      0.6166000     -1.5100000E-02
 C   -2.464200       1.843100     -4.6900000E-02
 C   -3.860400       1.565900      0.5004000    
 C   -2.159200     -0.6542000     -1.4500000E-02
 C  -0.1550000      0.7233000     -3.0999999E-02
 C   -4.494300      0.3851000     -0.2086000    
 C   -3.628300     -0.8440000     -8.6300001E-02
 C   0.6140000     -0.4666000      1.7800000E-02
 C    2.025800     -0.3852000      1.8400000E-02
 C   0.5212000       1.958600     -9.9600002E-02
 C   -1.328600      -1.754500      3.0999999E-02
 C    2.675300      0.8716000     -4.0700000E-02
 C    1.910500       2.033000     -0.1027000    
 C    2.843500      -1.536300      7.4600004E-02
 C    4.078600      0.9468000     -4.1400000E-02
 C    4.237700      -1.449300      7.3600002E-02
 C    4.855100     -0.2075000      1.5799999E-02
 H   -2.529000       2.202600      -1.080900    
 H   -2.038000       2.643000      0.5678000    
 H   -3.797200       1.357000       1.576500    
 H   -4.488900       2.455700      0.3815000    
 H   -5.467000      0.1713000      0.2476000    
 H   -4.649200      0.5959000      -1.272200    
 H  -2.3499999E-02   2.897500     -0.1604000    
 H   -1.712200      -2.769700      4.1900001E-02
 H    2.382600       3.011700     -0.1557000    
 H    2.402300      -2.530500      0.1211000    
 H    4.581100       1.911200     -8.7399997E-02
 H    4.837200      -2.353900      0.1180000    
 H    5.938400     -0.1359000      1.4500000E-02


%chk=000017801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017801

0 1
O -4.147469 -2.038662 0.012872
N 0.035704 -1.726236 0.050909
C -1.598554 0.641854 -0.011748
C -2.486728 1.877504 -0.024133
C -3.914076 1.587962 0.491696
C -2.170535 -0.653345 0.006487
C -0.163598 0.745767 -0.026137
C -4.524032 0.363027 -0.221655
C -3.648600 -0.876100 -0.050550
C 0.617078 -0.467398 0.013269
C 2.072969 -0.398585 0.011532
C 0.526511 2.016621 -0.083337
C -1.305789 -1.795734 0.041819
C 2.718515 0.887790 -0.041149
C 1.908225 2.082409 -0.092155
C 2.871839 -1.580457 0.058689
C 4.146142 0.952507 -0.044596
C 4.269996 -1.492372 0.055016
C 4.912347 -0.218934 0.003065
H -2.541047 2.268401 -1.062769
H -2.031636 2.680449 0.583610
H -3.879895 1.397753 1.582057
H -4.553896 2.475971 0.337080
H -5.538578 0.126351 0.142209
H -4.608943 0.569716 -1.309886
H -0.054850 2.942483 -0.131289
H -1.759174 -2.792461 0.058126
H 2.412490 3.054859 -0.140024
H 2.355227 -2.543320 0.097001
H 4.634479 1.933255 -0.085595
H 4.876180 -2.403953 0.091877
H 6.006397 -0.161127 0.000109


