%chk=000113246.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113246

0 1
 O    7.894800      5.6000002E-02  0.5969000    
 O   -7.108500       1.192700      0.2734000    
 O   -7.138400      -1.001100      0.1995000    
 N    5.170800     -3.5599999E-02 -0.1877000    
 N  -0.3822000     -4.9999999E-03  0.5403000    
 N  -0.9597000      4.0700000E-02 -0.5713000    
 N   -6.520300      9.0200000E-02  0.1577000    
 C    3.770500     -4.2300001E-02 -4.9999999E-03
 C    3.062900      -1.243400      4.4900000E-02
 C    5.939200       1.168100     -0.2445000    
 C    3.095300       1.171100      0.1273000    
 C    1.679900      -1.231000      0.2268000    
 C    1.004300     -1.7600000E-02  0.3584000    
 C    1.712100       1.183400      0.3089000    
 C    3.760900      -2.557200     -9.3500003E-02
 C    7.403100      0.8395000     -0.4832000    
 C   -2.353300      5.3100001E-02 -0.3890000    
 C   -3.022100       1.266400     -0.2580000    
 C   -3.054200      -1.148000     -0.3404000    
 C   -5.112600      7.7399999E-02 -2.6500000E-02
 C   -4.405100       1.278500     -7.6399997E-02
 C   -4.437200      -1.135900     -0.1586000    
 H    5.624700     -0.9223000     -0.3707000    
 H    5.852500       1.710500      0.7045000    
 H    5.594300       1.815900      -1.058500    
 H    3.603100       2.130200      9.6900001E-02
 H    1.121300      -2.163400      0.2672000    
 H    1.194500       2.133700      0.4119000    
 H    4.239400      -2.636300      -1.075200    
 H    4.514500      -2.677900      0.6918000    
 H    3.065000      -3.398700     -3.5999999E-03
 H    7.997700       1.756400     -0.5360000    
 H    7.548200      0.2795000      -1.413100    
 H   -2.478200       2.206500     -0.2963000    
 H   -2.535500      -2.097400     -0.4431000    
 H   -4.897800       2.242400      2.2299999E-02
 H   -4.955500      -2.090800     -0.1252000    
 H    7.390500     -0.7743000      0.6182000    


%chk=000113246-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113246

0 1
O 7.469093 1.642018 0.448856
O -7.230034 -0.686711 1.069801
O -7.457271 0.880136 -0.575365
N 5.285826 -0.258771 -0.306729
N -0.336038 -0.421464 0.226790
N -1.080650 0.360086 -0.531237
N -6.737595 0.114143 0.180014
C 3.893569 -0.281419 -0.225281
C 3.267787 -1.160025 0.731347
C 6.076799 0.515495 -1.278863
C 3.078074 0.556575 -1.053015
C 1.869690 -1.156823 0.826651
C 1.055729 -0.315850 0.012575
C 1.685915 0.544707 -0.935639
C 4.113811 -2.054908 1.617968
C 7.488404 0.757333 -0.716819
C -2.481866 0.232445 -0.287676
C -3.070834 -0.636843 0.680424
C -3.315295 1.057153 -1.094653
C -5.270353 0.155669 0.017400
C -4.463296 -0.676065 0.833805
C -4.711735 1.024598 -0.948382
H 5.781845 -1.026917 0.152393
H 5.596399 1.496195 -1.437742
H 6.137832 0.000666 -2.262446
H 3.543905 1.208841 -1.797263
H 1.362618 -1.809581 1.545926
H 1.057827 1.181546 -1.565554
H 4.725307 -2.771566 1.031094
H 4.806118 -1.469556 2.256153
H 3.477099 -2.653640 2.288768
H 8.109461 1.271153 -1.467993
H 7.975226 -0.214813 -0.472626
H -2.412878 -1.261940 1.290243
H -2.836276 1.713526 -1.827523
H -4.945843 -1.329863 1.565225
H -5.373069 1.647774 -1.555371
H 6.743599 1.340699 1.055844


