%chk=000027086.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027086

0 1
 O  -4.0500000E-02  -1.029800      -1.276400    
 O   -1.346700      -2.924800      -1.232000    
 N    2.616900     -0.2135000     -0.7344000    
 N   -5.237800       1.675400       1.031700    
 C    3.411900      -1.142700      6.9600001E-02
 C    3.358900       1.019600     -0.9762000    
 C    3.342100     -0.7538000       1.547300    
 C    2.398100       2.145900      -1.361400    
 C    1.909700     -0.7656000       2.114400    
 C    1.346300       2.448100     -0.2770000    
 C    2.231100     -0.8381000      -2.000500    
 C    1.051100      -1.775400      -1.799000    
 C    1.311400      -2.168500       1.983700    
 C    1.855500     -0.3162000       3.575200    
 C    2.043500       2.867400       1.019800    
 C   0.3595000       3.534900     -0.7062000    
 C   -1.183700      -1.730300      -1.037900    
 C   -2.243000     -0.8410000     -0.4978000    
 C   -3.209000      -1.353100      0.3685000    
 C   -2.271900      0.5067000     -0.8563000    
 C   -4.203800     -0.5176000      0.8762000    
 C   -3.266700       1.342300     -0.3487000    
 C   -4.232700      0.8301000      0.5175000    
 H    4.460300      -1.146500     -0.2593000    
 H    3.082200      -2.180800     -3.4800000E-02
 H    4.096400      0.8809000      -1.778800    
 H    3.944200       1.338900     -0.1088000    
 H    3.954700      -1.468400       2.113700    
 H    3.808200      0.2203000       1.723900    
 H    1.890700       1.936300      -2.309100    
 H    2.992000       3.051000      -1.546700    
 H    1.277000     -7.6300003E-02   1.546100    
 H   0.7550000       1.547800     -7.8000002E-02
 H    1.906200     -8.9299999E-02  -2.730300    
 H    3.072100      -1.373000      -2.460300    
 H    1.292400      -2.625900      -1.157000    
 H   0.7602000      -2.178800      -2.777200    
 H    1.952000      -2.920200       2.457600    
 H   0.3327000      -2.212600       2.475400    
 H    1.147500      -2.463200      0.9502000    
 H   0.8244000     -0.3061000       3.944000    
 H    2.440200     -0.9842000       4.216700    
 H    2.259600      0.6957000       3.683500    
 H    2.702600       3.727000      0.8558000    
 H    1.302600       3.158800       1.773000    
 H    2.634200       2.066900       1.461300    
 H   0.8729000       4.483800     -0.8947000    
 H  -0.1597000       3.243500      -1.625100    
 H  -0.3971000       3.704400      6.7000002E-02
 H   -3.197800      -2.400000      0.6602000    
 H   -1.539800      0.9288000      -1.539500    
 H   -4.950200     -0.9282000       1.551300    
 H   -3.279500       2.390300     -0.6372000    
 H   -5.260200       2.652100      0.7705000    
 H   -5.939600       1.304400       1.658200    


%chk=000027086-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027086

0 1
O -0.277528 -0.932835 -1.264346
O -1.473655 -2.878378 -0.782239
N 2.680830 -0.258067 -0.759838
N -5.835703 1.800802 0.438775
C 3.577456 -1.196430 -0.029613
C 3.334014 1.044807 -1.057665
C 3.718238 -0.874436 1.475764
C 2.340059 2.197600 -1.333309
C 2.406205 -1.011467 2.294055
C 1.340162 2.488052 -0.184743
C 2.060023 -0.879712 -1.953136
C 0.877363 -1.793765 -1.627159
C 1.965905 -2.487965 2.441128
C 2.569680 -0.361859 3.688644
C 2.049996 2.982168 1.097766
C 0.283838 3.521585 -0.643717
C -1.431487 -1.619984 -0.848776
C -2.544666 -0.703522 -0.520032
C -3.786835 -1.262498 -0.112396
C -2.424496 0.710608 -0.597733
C -4.877420 -0.441594 0.205937
C -3.508712 1.542151 -0.280894
C -4.757316 0.980022 0.125974
H 4.595186 -1.220781 -0.498001
H 3.166643 -2.217410 -0.137569
H 4.036485 0.956379 -1.927486
H 3.958889 1.311548 -0.186648
H 4.490436 -1.548373 1.904748
H 4.110775 0.156127 1.595083
H 1.764231 1.981340 -2.256121
H 2.932407 3.112831 -1.548720
H 1.617580 -0.465576 1.737592
H 0.831742 1.531095 0.047025
H 1.697918 -0.083654 -2.626599
H 2.802042 -1.480958 -2.539775
H 1.088121 -2.480957 -0.788782
H 0.594454 -2.404885 -2.505652
H 2.733775 -3.074120 2.983879
H 1.020076 -2.560808 3.009187
H 1.795992 -2.973962 1.462901
H 1.639099 -0.448427 4.280216
H 3.379742 -0.855384 4.261520
H 2.820155 0.712891 3.605179
H 2.627004 3.907130 0.898495
H 1.312989 3.208267 1.891213
H 2.744859 2.223691 1.500547
H 0.757925 4.496072 -0.875119
H -0.242798 3.181417 -1.556346
H -0.472801 3.694811 0.145249
H -3.871226 -2.352945 -0.054280
H -1.470957 1.145728 -0.907470
H -5.829481 -0.888120 0.517590
H -3.400287 2.631870 -0.345085
H -5.754912 2.812115 0.383455
H -6.725412 1.405165 0.729025


