%chk=000029930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029930

0 1
 O    4.558400      6.7900002E-02 -0.4004000    
 O   -1.872400       2.347400     -0.7366000    
 O   -1.585100       2.425800       1.438300    
 N    3.178000     -1.8800000E-02 -0.2140000    
 N  -0.9228000     -0.2523000      0.3458000    
 N   -5.121600     -0.8811000     -0.2719000    
 N   -1.131100       2.364600      0.2726000    
 C    1.033500       1.129200      3.1099999E-02
 C   0.3586000     -0.1940000      0.1703000    
 C    1.195700      -1.432100      0.1037000    
 C    2.423800       1.179800     -0.1562000    
 C    2.585700      -1.303200     -8.6700000E-02
 C   -2.960000      -1.553600      0.6692000    
 C   -1.448900      -1.602600      0.4680000    
 C   -3.681500     -0.8869000     -0.5033000    
 C   0.2807000       2.312200      8.8000000E-02
 C    3.037100       2.438500     -0.2830000    
 C   0.6246000      -2.708100      0.2270000    
 C    3.371400      -2.469300     -0.1478000    
 C   0.9090000       3.549600     -4.0600002E-02
 C    2.285600       3.613200     -0.2257000    
 C    1.423200      -3.850500      0.1628000    
 C    2.794500      -3.732300     -2.4200000E-02
 C   -5.845500     -0.7380000      -1.536100    
 C   -5.490900      0.1946000      0.6495000    
 H   -3.337700      -2.575600      0.8045000    
 H   -3.163700      -1.009900       1.599400    
 H   -1.156000      -2.030600       1.437100    
 H   -1.406600      -2.111100     -0.5051000    
 H   -3.306400      0.1234000     -0.6954000    
 H   -3.453800      -1.477600      -1.400900    
 H    4.111300       2.523700     -0.4289000    
 H  -0.3258000      -3.179800      0.3794000    
 H    4.447400      -2.410400     -0.2932000    
 H   0.3412000       4.476400      8.9999998E-04
 H    2.777100       4.576600     -0.3260000    
 H   0.9853000      -4.841700      0.2594000    
 H    3.416500      -4.621100     -7.3700003E-02
 H   -5.623300      -1.575900      -2.206200    
 H   -5.593500      0.1954000      -2.052500    
 H   -6.927700     -0.7563000      -1.364700    
 H   -5.039200      5.9400000E-02   1.636700    
 H   -6.574700      0.1971000      0.8144000    
 H   -5.205300       1.182800      0.2702000    
 H    4.630500      4.6500001E-02  -1.370400    


%chk=000029930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029930

0 1
O 4.003527 0.172401 -1.557383
O -2.152326 2.400731 1.135891
O -0.892858 1.477697 2.804562
N 2.729213 -0.076467 -0.921974
N -0.976679 -0.614714 0.718530
N -5.028173 -0.488519 -0.765291
N -1.056342 1.906114 1.601481
C 0.842952 0.839831 0.294588
C 0.312488 -0.542313 0.482726
C 1.320483 -1.632299 0.326760
C 2.044030 1.059203 -0.449099
C 2.532682 -1.371306 -0.398027
C -3.276036 -1.467429 0.770680
C -1.781194 -1.831387 0.895578
C -3.607897 -0.893198 -0.618882
C 0.152673 1.998053 0.733099
C 2.508080 2.367479 -0.744703
C 1.150495 -2.938842 0.862149
C 3.499653 -2.386733 -0.604862
C 0.574428 3.303903 0.429862
C 1.765573 3.479190 -0.311198
C 2.111654 -3.949288 0.670238
C 3.282631 -3.671572 -0.074614
C -5.374772 -0.236097 -2.179531
C -5.389709 0.662558 0.093001
H -3.897855 -2.363198 0.960633
H -3.505199 -0.723713 1.554863
H -1.609467 -2.254378 1.909034
H -1.506877 -2.623873 0.161180
H -2.914480 -0.034970 -0.814148
H -3.400624 -1.667312 -1.385757
H 3.445247 2.492294 -1.290078
H 0.266654 -3.158448 1.462680
H 4.420660 -2.148504 -1.140944
H -0.011278 4.159429 0.776520
H 2.118158 4.489990 -0.538929
H 1.953087 -4.943046 1.100475
H 4.036643 -4.451328 -0.226783
H -5.165831 -1.139131 -2.781492
H -4.808185 0.618818 -2.631231
H -6.453320 -0.010738 -2.264187
H -5.291498 0.397680 1.158504
H -6.444380 0.935245 -0.090472
H -4.750871 1.561794 -0.093526
H 3.820439 0.087693 -2.535126


