%chk=000125982.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125982

0 1
 O   -2.671200     -0.9515000     -1.1900000E-02
 O    2.672000     -0.9492000      1.0800000E-02
 O   -2.756400      -3.501600     -9.3000000E-03
 O    2.759300      -3.499300      1.0100000E-02
 N   -2.808500       1.632200     -1.2500000E-02
 N    2.807300       1.634200      1.2000000E-02
 N   -5.740700       3.880800      2.1600001E-02
 N    5.737700       3.885000     -1.7200001E-02
 C  -0.6984000      0.3349000     -4.4000000E-03
 C   0.6980000      0.3355000      2.0999999E-03
 C   -1.397200       1.548100     -7.7000000E-03
 C    1.395800       1.549200      4.9999999E-03
 C  -0.6974000      -2.211200     -3.1999999E-03
 C   0.6991000      -2.210700      2.9000000E-03
 C   -1.447100     -0.9385000     -7.3000002E-03
 C    1.447800     -0.9373000      6.0000001E-03
 C  -0.6978000       2.755500     -4.8000002E-03
 C   0.6955000       2.756000      1.5000000E-03
 C   -1.395100      -3.425100     -5.2999998E-03
 C    1.397800      -3.423900      6.2000002E-03
 C   -3.508900       2.877000     -1.4500000E-02
 C    3.506700       2.879500      1.5300000E-02
 C  -0.6948000      -4.631700     -1.9000000E-03
 C   0.6985000      -4.631100      3.8000001E-03
 C   -5.010000       2.619700      1.5000000E-02
 C    5.008000       2.623300     -1.2000000E-02
 H   -1.183100       3.726400     -8.7000001E-03
 H    1.180000       3.727200      4.9999999E-03
 H   -3.336100      0.7684000     -2.4400000E-02
 H    3.335400      0.7707000      2.2000000E-02
 H   -3.264500       3.454200     -0.9153000    
 H   -3.239200       3.471800      0.8675000    
 H    3.260400       3.456400      0.9158000    
 H    3.237900       3.474200     -0.8671000    
 H   -1.220200      -5.583400     -3.4000000E-03
 H    1.234000      -5.577000      6.0999999E-03
 H   -5.283900       2.040800      0.9044000    
 H   -5.316500       2.030700     -0.8569000    
 H    5.283800       2.044900     -0.9012000    
 H    5.313700       2.034300      0.8602000    
 H   -3.031800      -4.434200     -9.8999999E-03
 H    3.153700      -2.614700      8.3999997E-03
 H   -5.486700       4.428700     -0.7997000    
 H   -5.457600       4.437200      0.8275000    
 H    5.482100       4.432600      0.8039000    
 H    5.455500       4.441400     -0.8234000    


%chk=000125982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125982

0 1
O -2.798328 -0.859642 -0.005511
O 2.749005 -0.896676 0.004664
O -2.800506 -3.502738 -0.004887
O 2.818062 -3.361485 0.004889
N -2.831962 1.687888 -0.002857
N 2.812964 1.664547 0.002689
N -6.056124 3.705360 0.008713
N 6.061527 3.643354 -0.006419
C -0.740940 0.395427 -0.001217
C 0.703693 0.399327 0.000674
C -1.457543 1.649964 -0.001642
C 1.438576 1.646236 0.001585
C -0.753247 -2.150808 -0.001591
C 0.687469 -2.128908 0.000905
C -1.498457 -0.870203 -0.002880
C 1.415055 -0.862641 0.001824
C -0.696642 2.873722 -0.000669
C 0.690285 2.874160 0.001068
C -1.403922 -3.420108 -0.002548
C 1.444727 -3.352899 0.002432
C -3.642275 2.907554 -0.002820
C 3.638606 2.874986 0.003442
C -0.635627 -4.619151 -0.001089
C 0.763260 -4.595229 0.001385
C -5.156209 2.548645 0.010024
C 5.148431 2.498657 -0.008600
H -1.229136 3.829359 -0.001620
H 1.225652 3.827919 0.002238
H -3.260613 0.729838 -0.005248
H 3.240120 0.711816 0.004284
H -3.430246 3.527747 -0.901692
H -3.417128 3.535910 0.886983
H 3.431193 3.495903 0.902212
H 3.419222 3.504635 -0.886199
H -1.156188 -5.586547 -0.001885
H 1.353500 -5.515268 0.002539
H -5.370672 1.929821 0.901891
H -5.383033 1.918336 -0.870753
H 5.356375 1.877984 -0.901073
H 5.367538 1.865844 0.872694
H -3.074763 -4.456847 -0.004962
H 3.103618 -2.349102 0.005428
H -6.071067 4.260598 -0.849012
H -6.060807 4.270577 0.860006
H 6.091168 4.196057 0.852098
H 6.082285 4.206481 -0.858389


