%chk=000048680.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048680

1 1
 O  -0.8732000      0.3690000      0.9912000    
 O   0.4288000       1.274100     -0.6768000    
 N   -3.037700      -2.118900     -0.2054000    
 N   -3.801900      0.9146000      -1.122600    
 N    1.459700     -6.0899999E-02  0.9678000    
 C   -2.361200      -1.018400      -1.010000    
 C   -4.548500      -1.972300     -0.3153000    
 C   -2.618500      -3.476500     -0.7508000    
 C   -2.622300      -2.008500       1.254600    
 C   -2.719900      0.3600000     -0.5383000    
 C   -1.954200      0.9733000      0.4354000    
 C   -2.326300       2.250600      0.8399000    
 C   -4.133100       2.156700     -0.7040000    
 C   -3.435200       2.860600      0.2641000    
 C   0.3722000      0.5927000      0.3450000    
 C    2.793000     -4.9400002E-02  0.4050000    
 C    2.917800      2.9100001E-02 -0.9567000    
 C    3.857300     -0.1177000       1.264300    
 C    1.255100     -0.8482000       2.192200    
 C    5.314700     -2.7799999E-02 -0.6605000    
 C    4.202600      3.9999999E-02  -1.499600    
 C    5.142100     -0.1067000      0.7214000    
 C    6.688600     -1.5500000E-02  -1.240800    
 H   -2.675300      -1.144700      -2.054500    
 H   -1.280800      -1.200500     -0.9840000    
 H   -4.822100      -1.928200      -1.373600    
 H   -5.008000      -2.849300      0.1518000    
 H   -4.874400      -1.075700      0.2182000    
 H   -1.531300      -3.563700     -0.6654000    
 H   -3.110200      -4.256200     -0.1616000    
 H   -2.927300      -3.538600      -1.798500    
 H   -1.534400      -2.067800       1.311000    
 H   -3.025600      -1.096800       1.699300    
 H   -3.052000      -2.865500       1.784600    
 H   -1.757500       2.775100       1.602500    
 H   -5.005600       2.587900      -1.183600    
 H   -3.743800       3.855500      0.5640000    
 H    2.084100      2.2100000E-02  -1.648200    
 H    3.756100     -0.1612000       2.342900    
 H   0.2053000      -1.092000       2.357200    
 H    1.596000     -0.2600000       3.049800    
 H    1.809000      -1.790500       2.129600    
 H    4.324700      9.0099998E-02  -2.578500    
 H    6.001300     -0.1541000       1.385500    
 H    7.387100     -0.5809000     -0.6146000    
 H    6.702500     -0.4780000      -2.233600    
 H    7.050200       1.013900      -1.328200    


%chk=000048680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048680

1 1
O -0.553727 0.613834 1.539166
O 0.221216 0.323443 -0.674904
N -3.266163 -2.206288 -0.534463
N -3.928976 0.617220 -0.068274
N 1.710447 0.261132 1.176443
C -2.186478 -1.158322 -0.185990
C -3.985261 -1.828246 -1.835798
C -2.546515 -3.538960 -0.742111
C -4.287473 -2.366719 0.591437
C -2.681224 0.198379 0.294664
C -1.828135 1.022640 1.077761
C -2.286558 2.288791 1.499776
C -4.368011 1.841768 0.338339
C -3.578894 2.708991 1.125691
C 0.499310 0.389996 0.547754
C 2.935879 0.087587 0.407170
C 2.962463 -0.651413 -0.801275
C 4.140106 0.644576 0.904321
C 1.835555 0.407267 2.652364
C 5.394903 -0.269332 -1.012687
C 4.179048 -0.820067 -1.492894
C 5.348403 0.461314 0.201168
C 6.691547 -0.432948 -1.782401
H -1.562212 -1.025157 -1.086998
H -1.546623 -1.612680 0.591931
H -3.242049 -1.784463 -2.647045
H -4.738999 -2.600958 -2.054217
H -4.449635 -0.844177 -1.680743
H -2.113529 -3.871816 0.213720
H -3.272778 -4.283335 -1.102253
H -1.749063 -3.404780 -1.488850
H -3.752833 -2.558472 1.534872
H -4.872490 -1.440547 0.663520
H -4.940769 -3.219280 0.349271
H -1.628963 2.917679 2.106675
H -5.376216 2.123343 0.019979
H -3.965697 3.684907 1.430931
H 2.044643 -1.078365 -1.209273
H 4.147720 1.230716 1.828102
H 0.903865 0.095985 3.140641
H 2.046433 1.454085 2.935409
H 2.660167 -0.234896 2.997761
H 4.183154 -1.395471 -2.426033
H 6.268597 0.901287 0.602270
H 7.565632 -0.447849 -1.108744
H 6.699360 -1.364963 -2.373530
H 6.838724 0.405363 -2.490449


