%chk=000064911.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064911

0 1
 O   -1.247900      -1.996800      -1.314100    
 O    5.294600      0.6439000      0.5483000    
 N  -0.3712000      -2.309300      0.8139000    
 N  -0.1818000      -3.663000      0.6265000    
 C   -1.065300     -8.0899999E-02  0.1660000    
 C  -0.1943000      0.8121000     -0.7456000    
 C   -2.530600      0.3252000      0.1422000    
 C    1.275400      0.7669000     -0.3991000    
 C  -0.9117000      -1.556400     -0.2162000    
 C   -3.069200      0.8152000      -1.030700    
 C   -3.279900      0.1917000       1.294100    
 C    1.783700       1.671800      0.5180000    
 C    2.086000     -0.1787000      -1.005500    
 C    3.140700       1.630100      0.8378000    
 C    3.443100     -0.2205000     -0.6857000    
 C   -4.413300       1.187500      -1.052700    
 C   -4.624000      0.5639000       1.271800    
 C    3.970600      0.6840000      0.2361000    
 C   -5.190700       1.061800      9.8399997E-02
 C    6.085800     -0.3486000     -0.1037000    
 H  -0.7105000      6.5499999E-02   1.196300    
 H  -0.5187000       1.860400     -0.6813000    
 H  -0.3063000      0.5323000      -1.802000    
 H   -2.500200      0.9060000      -1.949300    
 H   -2.848000     -0.1974000       2.211200    
 H    1.145000       2.410300      0.9940000    
 H    1.685500     -0.8860000      -1.726000    
 H    3.545700       2.336800       1.557000    
 H    4.030200     -0.9803000      -1.190200    
 H   -4.856200       1.570500      -1.967500    
 H   -5.229900      0.4651000       2.167800    
 H  -0.1038000      -1.911200       1.708300    
 H   -6.237600       1.350200      8.0899999E-02
 H  -0.6514000      -4.136800       1.396900    
 H   0.8138000      -3.841900      0.7511000    
 H    7.111500     -0.2362000      0.2627000    
 H    6.114400     -0.1923000      -1.187400    
 H    5.760600      -1.360300      0.1614000    


%chk=000064911-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064911

0 1
O -0.733886 -1.822804 -1.328598
O 5.444451 0.542153 0.596250
N -0.538701 -2.353702 0.920606
N -0.293073 -3.737003 0.707423
C -1.057213 -0.011704 0.331936
C -0.201709 0.980856 -0.528989
C -2.553989 0.297393 0.220950
C 1.292378 0.855778 -0.273864
C -0.761284 -1.456788 -0.112717
C -3.260795 0.068172 -0.989054
C -3.246641 0.859446 1.322737
C 1.912892 1.583373 0.778679
C 2.103500 -0.003796 -1.053738
C 3.288570 1.458523 1.045171
C 3.488567 -0.142535 -0.803625
C -4.630580 0.395648 -1.088371
C -4.617443 1.190106 1.222565
C 4.082228 0.591870 0.252345
C -5.314329 0.959263 0.014777
C 6.310302 -0.324261 -0.205576
H -0.752576 0.109964 1.390827
H -0.549386 2.004648 -0.295607
H -0.434502 0.782456 -1.590654
H -2.735679 -0.383355 -1.838506
H -2.710419 1.043222 2.262730
H 1.310816 2.268435 1.389307
H 1.641927 -0.577895 -1.865710
H 3.771668 2.023233 1.848609
H 4.084343 -0.811203 -1.432442
H -5.166322 0.210500 -2.026405
H -5.138845 1.624376 2.083199
H -0.559497 -2.056460 1.897153
H -6.377142 1.213748 -0.065668
H -1.075666 -4.159035 0.186772
H 0.588038 -3.865520 0.189000
H 7.313874 -0.210654 0.230183
H 6.326478 -0.007962 -1.267025
H 5.993743 -1.383889 -0.140970


