%chk=000104184.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104184

0 1
 O   -1.068100      -1.204500     -0.1324000    
 O    3.512300      -2.557300      4.6100002E-02
 N    3.027800     -0.3359000      2.0700000E-02
 N   -5.634700      0.2399000     -0.3137000    
 N    2.798800       1.891600      5.2999998E-03
 N   0.3967000      -4.421500     -6.7900002E-02
 C   0.7650000      0.4394000     -6.7400001E-02
 C    2.154800      0.7429000     -1.5500000E-02
 C   0.3029000     -0.9456000     -8.0799997E-02
 C   -1.535800       1.174800     -0.1575000    
 C    4.311100      0.1911000      6.6900000E-02
 C   -1.956400     -0.1564000     -0.1699000    
 C  -0.1070000       1.460700     -0.1037000    
 C   -4.260300      0.5516000     -0.2603000    
 C    4.128900       1.572600      5.5900000E-02
 C    2.654700      -1.688100      1.0800000E-02
 C    1.186900      -1.960000     -4.4100001E-02
 C   -3.314700     -0.4720000     -0.2212000    
 C   -2.488300       2.197500     -0.1969000    
 C   -3.847900       1.884100     -0.2481000    
 C   -6.625800       1.296600     -0.3563000    
 C   -6.073600      -1.141300     -0.3408000    
 C    5.588500     -0.3850000      0.1162000    
 C    5.245800       2.425700      9.4899997E-02
 C    6.689800      0.4775000      0.1546000    
 C   -6.870000       1.825600       1.042500    
 C   -6.256100      -1.647900       1.075600    
 C    6.523500       1.860800      0.1443000    
 C   0.7514000      -3.317000     -5.7200000E-02
 H   0.2024000       2.501200     -9.4999999E-02
 H   -3.572700      -1.525000     -0.2086000    
 H   -2.184400       3.241400     -0.1882000    
 H   -4.531700       2.725200     -0.2776000    
 H   -6.360400       2.096500      -1.056500    
 H   -7.578100      0.9079000     -0.7393000    
 H   -7.045000      -1.210800     -0.8478000    
 H   -5.428500      -1.797600     -0.9335000    
 H    5.738900      -1.458300      0.1251000    
 H    5.123100       3.504300      8.6999997E-02
 H   -7.308400       1.063100       1.691900    
 H   -5.960900       2.187200       1.530900    
 H   -7.577900       2.660300       1.003200    
 H   -5.348900      -1.532300       1.676800    
 H   -7.069200      -1.128100       1.589300    
 H   -6.513500      -2.712200       1.059400    
 H    7.692500      5.9200000E-02  0.1933000    
 H    7.395500       2.508600      0.1749000    


%chk=000104184-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104184

0 1
O -1.036104 -1.081090 -0.114147
O 3.504446 -2.663306 0.102021
N 3.079634 -0.358159 0.032362
N -5.682758 0.237980 -0.345940
N 2.884487 1.940096 -0.026556
N 0.246034 -4.357779 0.009596
C 0.785763 0.563203 -0.079494
C 2.215945 0.773673 -0.027804
C 0.333693 -0.809297 -0.066776
C -1.541487 1.330118 -0.183458
C 4.399540 0.147804 0.075214
C -1.977404 -0.034376 -0.172167
C -0.141793 1.607198 -0.136506
C -4.339632 0.584214 -0.269980
C 4.249170 1.577498 0.037158
C 2.658550 -1.727585 0.045996
C 1.196754 -1.911286 -0.008477
C -3.317193 -0.417579 -0.208032
C -2.571977 2.318049 -0.234272
C -3.920701 1.968854 -0.270618
C -6.745950 1.272397 -0.320578
C -6.104743 -1.184562 -0.351829
C 5.658049 -0.480926 0.141593
C 5.390852 2.409967 0.065559
C 6.784703 0.370161 0.169212
C -7.035178 1.854540 1.083243
C -6.168594 -1.836159 1.049691
C 6.655063 1.789708 0.131743
C 0.685493 -3.244849 0.001373
H 0.228839 2.637217 -0.143578
H -3.540843 -1.485074 -0.181295
H -2.286185 3.375818 -0.242108
H -4.666004 2.766152 -0.304892
H -6.483188 2.084778 -1.024225
H -7.663965 0.806098 -0.719321
H -7.101437 -1.230546 -0.825876
H -5.424718 -1.758329 -1.008184
H 5.744824 -1.568607 0.169746
H 5.281030 3.497893 0.036798
H -7.386654 1.069313 1.774489
H -6.134421 2.315807 1.523652
H -7.820530 2.629578 1.015950
H -5.194970 -1.780168 1.565963
H -6.922033 -1.340878 1.686512
H -6.445514 -2.902056 0.957464
H 7.785110 -0.073139 0.220896
H 7.558998 2.408134 0.155283


