%chk=000038698.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038698

0 1
 O   -5.207500      -1.362100     -0.2427000    
 O  -0.4610000      0.5062000       1.596800    
 O  -7.8299999E-02   1.277300      -1.886700    
 O    5.274300      -1.109500      0.3343000    
 N   -3.057000      0.3675000      0.4541000    
 N  -0.7499000      0.9414000      0.2953000    
 C   -2.865900     -0.7655000     -0.4621000    
 C   -4.440000      0.8566000      0.3682000    
 C   -2.108200       1.439000      0.1590000    
 C   -3.874700      -1.865400     -0.1434000    
 C   -5.411100     -0.2815000      0.6684000    
 C   0.1537000      0.9013000     -0.7391000    
 C    1.502600      0.3717000     -0.4569000    
 C    1.743100     -0.9820000     -0.6138000    
 C    2.496200       1.241000     -4.1499998E-02
 C    3.017600      -1.482400     -0.3468000    
 C    3.770700      0.7409000      0.2254000    
 C    4.031400     -0.6210000      7.2600000E-02
 C    6.263900     -0.1734000      0.7591000    
 H   -1.866700      -1.203000     -0.3659000    
 H   -2.997800     -0.4407000      -1.502500    
 H   -4.641900       1.252900     -0.6356000    
 H   -4.603100       1.663800       1.091400    
 H   -2.220400       2.256800      0.8805000    
 H   -2.258400       1.849400     -0.8466000    
 H   -3.774300      -2.683600     -0.8639000    
 H   -3.714800      -2.283700      0.8579000    
 H   -5.303100     -0.6450000       1.697700    
 H   -6.441900      6.6399999E-02  0.5467000    
 H  -0.1944000       1.346000       2.008300    
 H   0.9582000      -1.658500     -0.9397000    
 H    2.298700       2.302500      7.9599999E-02
 H    3.214500      -2.544200     -0.4671000    
 H    4.510900       1.465200      0.5479000    
 H    5.997300      0.2872000       1.716500    
 H    6.472400      0.5715000     -1.6200000E-02
 H    7.190400     -0.7339000      0.9213000    


%chk=000038698-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038698

0 1
O -4.774249 -1.749088 -0.609878
O -0.866213 1.275141 2.001229
O -0.219878 1.256024 -1.572723
O 5.121097 -1.017589 1.201411
N -3.092524 0.523200 -0.113521
N -0.960350 1.583081 0.569645
C -3.545028 0.224530 -1.488471
C -4.009253 0.039030 0.936052
C -2.378540 1.761555 0.117172
C -3.803293 -1.286575 -1.620500
C -4.259672 -1.467975 0.741421
C 0.020831 1.120099 -0.325865
C 1.336858 0.586262 0.156877
C 1.552809 -0.119335 1.376508
C 2.427332 0.728683 -0.741858
C 2.819258 -0.643999 1.683865
C 3.705459 0.223580 -0.436819
C 3.903535 -0.466373 0.787457
C 6.271860 -0.885739 0.301822
H -2.752821 0.528109 -2.195702
H -4.485243 0.772427 -1.742188
H -4.991157 0.572958 0.904680
H -3.550352 0.210031 1.926811
H -2.851068 2.378286 0.905955
H -2.312174 2.347942 -0.814392
H -4.255160 -1.533795 -2.595344
H -2.845421 -1.835692 -1.496663
H -3.309600 -2.022028 0.902580
H -5.032971 -1.839562 1.434449
H -0.432620 2.078918 2.399662
H 0.722063 -0.274365 2.067113
H 2.245534 1.234841 -1.695578
H 2.992742 -1.200056 2.610162
H 4.523768 0.361654 -1.149389
H 6.527033 0.177619 0.129287
H 6.082417 -1.385688 -0.667492
H 7.100490 -1.386913 0.822726


