%chk=000133158.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133158

0 1
 O   0.9883000       1.979700      3.6400001E-02
 O   -2.733100      -2.564100     -0.3684000    
 O   -5.907300       1.406000      0.1018000    
 N    5.140500      4.0899999E-02 -7.3200002E-02
 N    1.521600     -0.1533000      0.7759000    
 N   -4.769200     -0.6415000     -0.1615000    
 C    3.719400     -0.2303000     -0.2870000    
 C    5.654700     -0.7683000       1.031200    
 C    5.900100     -0.2204000      -1.295300    
 C    2.926200      8.0100000E-02  0.9739000    
 C    7.115500     -0.4549000       1.307500    
 C    5.379100      0.6124000      -2.454200    
 C   0.6548000      0.8313000      0.3162000    
 C  -0.7725000      0.4388000      0.1900000    
 C   -1.082100     -0.8870000     -3.1199999E-02
 C   -1.742800       1.413400      0.2980000    
 C   -3.422900     -0.2888000     -4.4199999E-02
 C   -2.422500      -1.255100     -0.1496000    
 C   -3.083000       1.045500      0.1794000    
 C   -5.890700      0.1934000     -8.3200000E-02
 C   -7.174200     -0.5778000     -0.2627000    
 H    3.548900      -1.271500     -0.5928000    
 H    3.306500      0.4080000      -1.075400    
 H    5.531300      -1.843100      0.8486000    
 H    5.147900     -0.5295000       1.969800    
 H    6.947400      7.2700001E-02  -1.168000    
 H    5.884100      -1.282900      -1.569500    
 H    3.077400       1.119200       1.288500    
 H    3.183600     -0.5750000       1.809600    
 H    1.171600      -1.064500       1.051100    
 H    7.784800     -0.8821000      0.5545000    
 H    7.294700      0.6239000       1.372900    
 H    7.409700     -0.8925000       2.268400    
 H    4.439800      0.2249000      -2.860600    
 H    5.242700       1.662600      -2.173600    
 H    6.104000      0.5881000      -3.276000    
 H  -0.3221000      -1.652200     -0.1539000    
 H   -1.493800       2.455200      0.4774000    
 H   -3.795800       1.852000      0.2744000    
 H   -4.943200      -1.631300     -0.3237000    
 H   -1.913000      -3.085000     -0.4093000    
 H   -7.192300      -1.039100      -1.254200    
 H   -8.029000      9.7800002E-02 -0.1691000    
 H   -7.251100      -1.354400      0.5035000    


%chk=000133158-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133158

0 1
O 1.310699 1.245778 -1.000971
O -3.249798 -2.236285 1.192429
O -5.810588 1.170630 -1.323601
N 5.241507 -0.352727 0.025861
N 1.554995 0.004082 0.944741
N -4.874593 -0.577157 -0.067975
C 3.799980 -0.701531 0.050324
C 6.144789 -1.464006 0.422865
C 5.659024 0.336500 -1.224915
C 3.010671 0.241778 0.998790
C 7.520660 -0.984372 0.926812
C 4.970456 1.698748 -1.435453
C 0.788406 0.526151 -0.087492
C -0.684185 0.219995 -0.063681
C -1.231520 -0.909962 0.603863
C -1.555310 1.089382 -0.762969
C -3.499947 -0.245781 -0.112210
C -2.617137 -1.132342 0.573146
C -2.947053 0.871580 -0.787341
C -5.944537 0.106664 -0.650460
C -7.309807 -0.535833 -0.417283
H 3.662020 -1.749473 0.384551
H 3.348565 -0.625790 -0.960642
H 6.292477 -2.199218 -0.410887
H 5.648848 -2.014365 1.244823
H 6.751334 0.495959 -1.174229
H 5.468324 -0.313111 -2.118851
H 3.209176 1.284151 0.699121
H 3.359846 0.109269 2.037774
H 1.095778 -0.454167 1.731370
H 8.108091 -0.491971 0.131579
H 7.391395 -0.263181 1.752974
H 8.113462 -1.843364 1.293252
H 3.872972 1.604961 -1.521018
H 5.197429 2.378276 -0.594060
H 5.341409 2.164382 -2.367690
H -0.581904 -1.642634 1.101594
H -1.115592 1.939112 -1.293625
H -3.620030 1.545769 -1.319289
H -5.080803 -1.430520 0.459760
H -2.598435 -2.828238 1.638819
H -7.741978 -0.823364 -1.391755
H -7.985459 0.213190 0.029657
H -7.279634 -1.425662 0.234692


