%chk=000014432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014432

0 1
 O    5.284000      -1.308400      -1.416900    
 O   -5.298200       1.233000      -1.418900    
 O    2.867800      -1.318700       1.486500    
 O   -2.849200       1.381400       1.428000    
 O    3.569800      -2.774400      -1.252300    
 O   -3.599800       2.725100      -1.354300    
 N    1.634000     -0.9002000      -1.212200    
 N   -1.653900      0.8445000      -1.249300    
 C   0.7128000      0.2205000      -1.237900    
 C  -0.7277000     -0.2825000      -1.241400    
 C    3.026200     -0.4196000      -1.221000    
 C   -3.034200      0.3816000      -1.242200    
 C    3.346600      0.4547000     -5.3800002E-02
 C   -3.346800     -0.4593000     -2.4100000E-02
 C    3.968000      -1.615500      -1.315200    
 C   -3.984500       1.559800      -1.356200    
 C    3.253300     -3.3500001E-02   1.249700    
 C   -3.236700      8.8399999E-02   1.243200    
 C    3.742600       1.773300     -0.2779000    
 C   -3.740600      -1.774400     -0.2106000    
 C    3.556400      0.7969000       2.328700    
 C   -3.528800     -0.7010000       2.355600    
 C    4.045500       2.603600      0.8014000    
 C   -4.032500      -2.563700      0.9018000    
 C    3.952300       2.115400       2.104500    
 C   -3.926500      -2.027000       2.184800    
 H   0.8339000      0.8641000     -0.3588000    
 H   0.8855000      0.8356000      -2.130600    
 H  -0.8938000     -0.9134000      -2.124200    
 H  -0.8590000     -0.9083000     -0.3513000    
 H    3.178700      0.1253000      -2.163700    
 H   -3.200100     -0.2001000      -2.160200    
 H    1.475300      -1.490200      -2.029100    
 H   -1.486200       1.413100      -2.079400    
 H    3.819800       2.170200      -1.286600    
 H   -3.826600      -2.205300      -1.203800    
 H    3.488000      0.4299000       3.349300    
 H   -3.450300     -0.2961000       3.361000    
 H    4.353600       3.630300      0.6269000    
 H   -4.342000      -3.596200      0.7691000    
 H    4.188000       2.762100       2.944700    
 H   -4.153700      -2.641800       3.050900    
 H    5.846600      -2.111500      -1.447100    
 H   -5.871400       2.027200      -1.471300    
 H    2.860400      -1.476200       2.446200    
 H   -2.832300       1.574700       2.381100    


%chk=000014432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014432

0 1
O 5.461483 -0.267167 -1.847986
O -5.471180 0.197896 -1.832980
O 3.971439 -2.018260 0.334908
O -3.968206 2.029824 0.276876
O 3.897549 -1.584842 -2.942798
O -3.911745 1.475233 -2.980801
N 1.811970 -0.502989 -1.487873
N -1.819843 0.443760 -1.498620
C 0.646009 0.384384 -1.426532
C -0.653937 -0.441564 -1.413671
C 3.126841 0.124962 -1.324230
C -3.134637 -0.175551 -1.304888
C 3.492430 0.328096 0.147451
C -3.492489 -0.322447 0.175470
C 4.160945 -0.693940 -2.106454
C -4.171723 0.615057 -2.111878
C 3.856782 -0.770741 0.969635
C -3.850956 0.807046 0.957730
C 3.405164 1.604157 0.743401
C -3.401736 -1.575020 0.818711
C 4.110029 -0.598017 2.348084
C -4.095709 0.686917 2.343259
C 3.656015 1.796470 2.122559
C -3.643800 -1.714692 2.205755
C 4.005311 0.688451 2.924595
C -3.987651 -0.576864 2.967347
H 0.687630 0.984325 -0.498960
H 0.608704 1.113071 -2.280087
H -0.617660 -1.194529 -2.245866
H -0.694022 -1.014470 -0.469078
H 3.161589 1.140259 -1.800912
H -3.173655 -1.207917 -1.742866
H 1.800080 -1.202548 -2.240112
H -1.811885 1.118177 -2.273482
H 3.135142 2.461712 0.114148
H -3.135776 -2.455865 0.220758
H 4.392166 -1.458376 2.969630
H -4.373677 1.570443 2.933364
H 3.578824 2.795902 2.562457
H -3.563961 -2.696654 2.682937
H 4.200867 0.819046 3.994560
H -4.176363 -0.666635 4.042737
H 6.095135 -0.810540 -2.389735
H -6.107170 0.721528 -2.391161
H 4.201269 -2.730382 0.980833
H -4.191293 2.766693 0.896868


