%chk=000003623.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003623

0 1
 O  -3.3199999E-02  0.7201000      0.8494000    
 O   0.2442000       2.406600     -0.6991000    
 O    2.871400       2.592300     -0.1385000    
 N   -3.386000      -1.349600     -0.4656000    
 C   -3.465200     -0.8365000      0.9070000    
 C   -3.037400     -0.1671000      -1.261700    
 C   -4.399400      0.3595000      0.6798000    
 C   -4.114700      0.8049000     -0.7620000    
 C   -2.092000     -0.3863000       1.442700    
 C   -1.620500      0.3516000     -0.9481000    
 C   -1.421100      0.6583000      0.5422000    
 C   -2.542300      -2.514300     -0.6589000    
 C   0.6931000       1.647000      0.1500000    
 C    2.152900       1.581600      0.5541000    
 C    2.782400      0.2447000      0.2480000    
 C    2.745600     -0.7588000       1.203600    
 C    3.386600      4.3699998E-02 -0.9832000    
 C    3.327800      -1.994400      0.9206000    
 C    3.968700      -1.191900      -1.266000    
 C    3.939100      -2.211100     -0.3142000    
 H   -3.921000      -1.560900       1.590600    
 H   -3.147400     -0.3496000      -2.336200    
 H   -4.237900       1.169900       1.398000    
 H   -5.448500      4.8799999E-02  0.7615000    
 H   -5.030000      0.7042000      -1.358600    
 H   -3.801200       1.852700     -0.8120000    
 H   -2.205800      3.5900000E-02   2.449500    
 H   -1.430100      -1.251900       1.572100    
 H  -0.8657000     -0.3654000      -1.294800    
 H   -1.476200       1.248400      -1.558700    
 H   -1.859800       1.637800      0.7749000    
 H   -2.910900      -3.349100     -5.2800000E-02
 H   -1.490300      -2.356700     -0.4045000    
 H   -2.587600      -2.840800      -1.703600    
 H    2.233500       1.811500       1.623000    
 H    2.536000       3.452300      0.1677000    
 H    2.272300     -0.6004000       2.168300    
 H    3.410200      0.8151000      -1.747200    
 H    3.304600      -2.788100       1.661600    
 H    4.441700      -1.362000      -2.228800    
 H    4.391400      -3.173500     -0.5349000    


%chk=000003623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003623

0 1
O -0.041361 0.651383 0.934268
O 0.384224 2.521971 -0.399627
O 2.903612 2.762847 0.543733
N -3.576533 -1.425527 -0.176355
C -3.675947 -0.555029 1.029394
C -3.048979 -0.491997 -1.211829
C -4.453950 0.665549 0.452369
C -4.032480 0.706281 -1.060704
C -2.260291 -0.145415 1.561835
C -1.568671 -0.076223 -0.911116
C -1.487603 0.606925 0.468327
C -2.937897 -2.741586 -0.036804
C 0.763174 1.623045 0.396162
C 2.227133 1.520744 0.877267
C 2.918719 0.293468 0.257197
C 2.615321 -1.010913 0.721279
C 3.873528 0.463532 -0.771538
C 3.253771 -2.134298 0.151257
C 4.508949 -0.662416 -1.343799
C 4.200579 -1.964033 -0.886662
H -4.232405 -1.072996 1.830789
H -3.101009 -0.960150 -2.210990
H -4.209563 1.600530 0.988379
H -5.539176 0.496828 0.547793
H -4.909943 0.553110 -1.710243
H -3.562028 1.663574 -1.347979
H -2.354751 0.483923 2.465807
H -1.696471 -1.053574 1.848453
H -0.924068 -0.976259 -0.911838
H -1.193688 0.605384 -1.695106
H -1.817285 1.658891 0.389666
H -3.481480 -3.328946 0.725317
H -1.860018 -2.722846 0.254489
H -3.014649 -3.283673 -0.996698
H 2.218284 1.417166 1.978449
H 2.317777 3.254093 -0.098628
H 1.879124 -1.146119 1.521814
H 4.127514 1.478305 -1.092067
H 3.018143 -3.139486 0.519114
H 5.250138 -0.521795 -2.138770
H 4.697560 -2.835769 -1.327205


