%chk=000025857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025857

0 1
 O   0.4440000      -1.154500      0.3639000    
 N    4.053200      -1.454900     -0.2682000    
 C  -0.6794000     -0.6287000     -0.3659000    
 C   -1.980900     -0.7903000      0.4948000    
 C  -0.8081000      -1.475500      -1.661400    
 C   -3.237500     -0.4765000     -0.3375000    
 C   -2.091000      -1.221600      -2.456000    
 C   -3.340600      -1.335900      -1.593000    
 C   -2.106100      -2.169800       1.165200    
 C  -0.3121000      0.8493000     -0.5726000    
 C  -0.1687000       1.707400      0.5147000    
 C   -3.323300      -2.231100       2.062600    
 C  -0.1238000       1.320800      -1.869600    
 C    1.647900      -1.013000     -0.3727000    
 C  -0.3671000       1.221300       1.913000    
 C   0.1650000       3.045300      0.3039000    
 C    2.796300      -1.563600      0.4574000    
 C   0.2100000       2.658500      -2.080400    
 C   0.3543000       3.520800     -0.9936000    
 C   0.9108000       1.342300       2.763200    
 C   -1.536400       1.930400       2.620300    
 C    4.339700     -5.7500001E-02 -0.6020000    
 C    5.153800      -2.023400      0.5138000    
 H   -2.106800     -8.5000001E-02   1.297900    
 H   2.2900000E-02  -1.350000      -2.361900    
 H  -0.7753000      -2.540300      -1.392000    
 H   -4.158200     -0.5668000      0.2469000    
 H   -3.202600      0.5778000     -0.6442000    
 H   -2.084800     -0.2351000      -2.928100    
 H   -2.154300      -1.947000      -3.276100    
 H   -4.214500      -1.025100      -2.177500    
 H   -3.508500      -2.384200      -1.321500    
 H   -2.146800      -2.983500      0.4347000    
 H   -1.223300      -2.350800       1.789700    
 H   -3.273300      -3.130400       2.686600    
 H   -4.254300      -2.301300       1.493100    
 H   -3.382000      -1.369600       2.735600    
 H  -0.1836000      0.7035000      -2.755600    
 H    1.853900      3.2800000E-02 -0.5890000    
 H    1.633600      -1.590000      -1.300200    
 H  -0.5026000      0.1518000       2.015500    
 H   0.2826000       3.736200       1.134000    
 H    2.581500      -2.616000      0.6861000    
 H    2.838500      -1.050500       1.426600    
 H   0.3659000       3.028000      -3.089800    
 H   0.6160000       4.562000      -1.157800    
 H    1.191300       2.388100       2.929600    
 H   0.7681000      0.8818000       3.747500    
 H    1.758300      0.8483000       2.278400    
 H   -2.451500       1.919300       2.018900    
 H   -1.754200       1.443700       3.577400    
 H   -1.300800       2.979000       2.834600    
 H    4.240600      0.6102000      0.2617000    
 H    5.365200      4.1700002E-02 -0.9793000    
 H    3.709100      0.3054000      -1.419600    
 H    6.087600      -1.998300     -5.9000000E-02
 H    5.310800      -1.486700       1.456500    
 H    4.957500      -3.076500      0.7443000    


%chk=000025857-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025857

0 1
O 0.394012 -1.169561 0.208636
N 4.116687 -1.520196 0.092555
C -0.769097 -0.570887 -0.534347
C -2.023174 -0.848409 0.381810
C -0.931391 -1.368205 -1.867428
C -3.327679 -0.521521 -0.398175
C -2.292680 -1.214757 -2.599076
C -3.498303 -1.405588 -1.652714
C -2.023291 -2.279245 0.993708
C -0.524076 0.956323 -0.705473
C -0.248178 1.828682 0.405658
C -3.132300 -2.482919 2.050453
C -0.547424 1.529751 -2.007009
C 1.717460 -1.009217 -0.412066
C -0.060207 1.373668 1.867117
C -0.092159 3.218335 0.152680
C 2.721537 -1.610452 0.584843
C -0.372860 2.909695 -2.237525
C -0.161128 3.770607 -1.141248
C 1.347290 1.761797 2.399420
C -1.160578 1.959925 2.793741
C 4.669628 -0.151699 0.162389
C 5.006293 -2.499850 0.749405
H -1.977151 -0.148244 1.234764
H -0.108310 -1.127355 -2.566726
H -0.798985 -2.431948 -1.591538
H -4.196152 -0.635819 0.277155
H -3.308727 0.543350 -0.706471
H -2.373538 -0.213191 -3.062192
H -2.332198 -1.948445 -3.428322
H -4.435768 -1.144677 -2.180923
H -3.586997 -2.469630 -1.357872
H -2.127390 -3.046525 0.202676
H -1.036823 -2.450734 1.457979
H -3.027617 -3.468011 2.541887
H -4.145596 -2.438917 1.610707
H -3.074215 -1.707396 2.838692
H -0.699244 0.884519 -2.874958
H 1.920620 0.063388 -0.606485
H 1.784010 -1.559493 -1.370982
H -0.110089 0.274500 1.902537
H 0.102793 3.886461 1.000127
H 2.467141 -2.677687 0.719648
H 2.587456 -1.115741 1.580044
H -0.403291 3.302238 -3.260131
H -0.035831 4.848962 -1.290601
H 1.484507 2.858333 2.438319
H 1.486847 1.369282 3.424313
H 2.145545 1.343549 1.760502
H -2.173799 1.673981 2.455944
H -1.026910 1.594455 3.829279
H -1.119319 3.065008 2.818424
H 4.732182 0.240852 1.210795
H 5.687144 -0.143194 -0.267509
H 4.051339 0.546733 -0.426524
H 6.011511 -2.451679 0.292795
H 5.121967 -2.330082 1.850773
H 4.612507 -3.520819 0.600419


