%chk=000003710.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003710

0 1
 O    2.693800      -1.672500      0.4670000    
 O   0.3220000       3.735300      -1.133400    
 O    8.547900     -4.1000000E-03 -4.6999999E-03
 O    7.732300      -2.105000     -0.2852000    
 N   -2.265600      0.2977000     -0.7894000    
 N   0.7565000       4.988000      0.7432000    
 C  -0.9619000       1.710500      0.3201000    
 C   -1.082600     -0.3714000     -0.5700000    
 C  -0.2423000      0.4979000      0.1289000    
 C   -2.202100       1.556700     -0.2553000    
 C   -3.410500     -0.2520000      -1.486100    
 C  -0.4678000       2.918800       1.013400    
 C    1.047300      5.5100001E-02  0.4843000    
 C  -0.6961000      -1.666500     -0.9328000    
 C   -3.335100       2.502900     -0.3414000    
 C    1.447500      -1.237900      0.1281000    
 C   -4.346900     -0.9508000     -0.5378000    
 C   0.5876000      -2.083800     -0.5696000    
 C   0.2352000       3.896500      8.0700003E-02
 C   -5.372700     -0.2338000      6.3100003E-02
 C   -4.172900      -2.303200     -0.2767000    
 C    3.721100     -0.6875000      0.5562000    
 C    5.068500      -1.307900      0.2091000    
 C   -6.240900     -0.8814000      0.9420000    
 C   -5.041300      -2.950700      0.6021000    
 C    6.208100     -0.2894000      0.2703000    
 C   -6.075300      -2.239700       1.211500    
 C    7.546200     -0.9218000     -3.7599999E-02
 H   -3.048800     -0.9466000      -2.254000    
 H   -3.922700      0.5336000      -2.048600    
 H   -1.293400       3.449400       1.503100    
 H   0.2355000       2.639900       1.807700    
 H    1.686300      0.7242000       1.051100    
 H   -1.340800      -2.330800      -1.495400    
 H   -3.885700       2.448600      -1.282500    
 H   -2.973900       3.535400     -0.2717000    
 H   -4.024000       2.354500      0.4946000    
 H   0.9156000      -3.083700     -0.8441000    
 H   -5.540500      0.8141000     -0.1587000    
 H   -3.388900      -2.880100     -0.7538000    
 H    3.745500     -0.2921000       1.578400    
 H    3.548600      0.1373000     -0.1476000    
 H    5.267600      -2.143500      0.8924000    
 H    5.016300      -1.757300     -0.7911000    
 H   -7.051000     -0.3299000       1.410200    
 H   -4.915600      -4.009700      0.8084000    
 H    6.030700      0.5086000     -0.4590000    
 H    6.261600      0.1472000       1.273500    
 H   -6.753100      -2.744700       1.893500    
 H    1.248900       5.718200      0.2395000    
 H   0.6705000       5.103700       1.747900    
 H    9.419800     -0.4079000     -0.2023000    


%chk=000003710-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003710

0 1
O 2.947703 -1.285470 -0.652279
O 0.924747 4.930222 1.354458
O 8.740393 -0.464254 1.247147
O 8.016252 -2.182769 -0.136796
N -2.374034 0.447204 -0.762902
N 0.459097 3.959460 -0.705547
C -0.975964 1.791514 0.463947
C -1.093927 -0.133596 -0.838456
C -0.197627 0.692356 -0.081268
C -2.301592 1.610318 0.033507
C -3.593943 -0.102305 -1.364165
C -0.447574 2.890315 1.347314
C 1.178931 0.345507 0.011413
C -0.647924 -1.301265 -1.498811
C -3.522109 2.444492 0.297644
C 1.616889 -0.818197 -0.653697
C -4.506947 -0.853019 -0.389129
C 0.713375 -1.634025 -1.401199
C 0.375205 4.015371 0.671263
C -5.903368 -0.890612 -0.626437
C -3.978852 -1.541360 0.730577
C 3.940101 -0.505849 0.099076
C 5.282029 -1.221731 -0.072302
C -6.760237 -1.612923 0.234393
C -4.835174 -2.260956 1.594261
C 6.403121 -0.484696 0.684096
C -6.227306 -2.301831 1.348369
C 7.753192 -1.157265 0.526394
H -3.281285 -0.781757 -2.179332
H -4.164314 0.714523 -1.845072
H -1.264867 3.402840 1.887257
H 0.210383 2.480137 2.137478
H 1.865500 0.975018 0.584649
H -1.327569 -1.945227 -2.066924
H -3.929435 2.892612 -0.630222
H -3.277874 3.274425 0.979842
H -4.332893 1.851127 0.760743
H 1.114028 -2.526326 -1.891032
H -6.324053 -0.351567 -1.485429
H -2.901867 -1.507869 0.929227
H 3.645545 -0.455477 1.169686
H 3.985036 0.530555 -0.300084
H 5.193836 -2.259660 0.294272
H 5.527931 -1.288107 -1.146800
H -7.838670 -1.632508 0.041142
H -4.416109 -2.788898 2.458189
H 6.507164 0.561958 0.335466
H 6.185775 -0.416934 1.768318
H -6.889731 -2.859579 2.019544
H 0.988835 4.678881 -1.196055
H 0.032893 3.188925 -1.220676
H 9.615783 -0.923322 1.126440


