%chk=000015724.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015724

0 1
 O    5.473800      0.3409000      0.6984000    
 N   0.6941000      -1.103000      0.6344000    
 N    3.197400      0.1759000      0.2579000    
 C    1.889800      -1.952900      0.5025000    
 C   0.8353000     -0.1919000     -0.5142000    
 C    1.988500      -2.263400     -0.9955000    
 C    1.283000      -1.089200      -1.674100    
 C    3.084800      -1.104600      0.9719000    
 C    1.934900      0.8220000     -0.1459000    
 C  -0.5508000      -1.866100      0.6042000    
 C    4.446500      0.7984000      0.1919000    
 C   -1.747800     -0.9724000      0.7406000    
 C    4.505300       2.105200     -0.5592000    
 C   -2.713300     -0.8885000     -0.1883000    
 C    5.906000       2.664700     -0.5093000    
 C   -3.913400     -4.0600002E-02 -9.2600003E-02
 C   -3.917400       1.034700      0.7820000    
 C   -5.016900     -0.3332000     -0.8786000    
 C   -5.054200       1.837900      0.8731000    
 C   -6.153500      0.4702000     -0.7875000    
 C   -6.172200       1.555700      8.8299997E-02
 H    1.838400      -2.864100       1.108900    
 H  -6.9300003E-02  0.3706000     -0.7659000    
 H    1.464200      -3.195900      -1.235400    
 H    3.023100      -2.367500      -1.338900    
 H    1.943000     -0.5731000      -2.379100    
 H   0.4172000      -1.456800      -2.237300    
 H    2.983700     -0.8631000       2.037700    
 H    4.018300      -1.667400      0.8561000    
 H    2.106500       1.493500     -0.9916000    
 H    1.614100       1.440900      0.7015000    
 H  -0.5645000      -2.552600       1.460400    
 H  -0.6398000      -2.494200     -0.2906000    
 H   -1.803600     -0.4125000       1.669700    
 H    4.216600       1.934600      -1.601400    
 H    3.812200       2.820200     -0.1044000    
 H   -2.632500      -1.491300      -1.090300    
 H    5.951800       3.615600      -1.050300    
 H    6.628600       1.983800     -0.9721000    
 H    6.228400       2.851600      0.5208000    
 H   -3.063200       1.305000       1.394600    
 H   -5.018300      -1.176000      -1.564600    
 H   -5.067500       2.686500       1.551000    
 H   -7.024300      0.2506000      -1.398400    
 H   -7.056800       2.181900      0.1582000    


%chk=000015724-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015724

0 1
O 5.551146 0.067548 0.540005
N 0.668711 -0.994522 0.612365
N 3.241610 0.266439 0.369038
C 1.921559 -1.821767 0.639401
C 0.958424 -0.087551 -0.544991
C 2.206563 -2.192981 -0.858266
C 1.558993 -1.015463 -1.660772
C 3.042809 -0.932797 1.220160
C 2.002815 0.952355 -0.064111
C -0.587538 -1.785405 0.474372
C 4.538456 0.707435 0.109748
C -1.804316 -0.913067 0.680242
C 4.695243 1.998098 -0.716236
C -2.861962 -0.858577 -0.178707
C 6.169777 2.422281 -0.840952
C -4.098214 -0.062545 -0.029041
C -4.370217 0.751446 1.108831
C -5.072641 -0.107976 -1.066096
C -5.565985 1.491402 1.198305
C -6.271246 0.631735 -0.977538
C -6.524196 1.436965 0.156310
H 1.784497 -2.701992 1.291775
H 0.038648 0.437459 -0.854544
H 1.739256 -3.160161 -1.115656
H 3.289157 -2.279176 -1.052355
H 2.303622 -0.479804 -2.275461
H 0.764093 -1.373846 -2.338834
H 2.755308 -0.623560 2.244737
H 4.008379 -1.462465 1.268911
H 2.231089 1.654602 -0.881181
H 1.562333 1.521545 0.779731
H -0.554507 -2.559524 1.268965
H -0.674559 -2.325574 -0.499789
H -1.782765 -0.306886 1.596465
H 4.261724 1.842268 -1.725469
H 4.103574 2.809985 -0.248224
H -2.810434 -1.473738 -1.091210
H 6.255768 3.344044 -1.444812
H 6.767680 1.626706 -1.315522
H 6.609638 2.605774 0.153693
H -3.646283 0.801001 1.929816
H -4.883142 -0.732092 -1.948717
H -5.756970 2.110430 2.082391
H -7.005968 0.579981 -1.788876
H -7.453729 2.012068 0.230697


