%chk=000165239.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165239

0 1
 O    2.533100      -3.083600     -0.9918000    
 O   0.2919000       2.451600       1.033700    
 O    1.061000       2.921000      -1.093400    
 N    1.477500      -1.522000      0.4854000    
 N   -1.848500      0.8051000     -0.9809000    
 C    1.573100     -5.6499999E-02  0.5959000    
 C   0.6105000      0.6383000     -0.4277000    
 C    2.151700     -0.8349000      -1.789200    
 C    3.056100      0.3067000      0.2567000    
 C    1.064100      0.2550000      -1.863200    
 C    3.411400     -0.2290000      -1.145100    
 C    1.626600      -1.987400     -0.9013000    
 C  -0.8442000      0.2786000     -0.2004000    
 C   0.4275000      -2.201400       1.243600    
 C    4.043000     -0.2051000       1.310400    
 C   0.6907000       2.135800     -0.2312000    
 C   -1.442000     -0.5742000      0.7170000    
 C  -0.7325000      -1.350900       1.776400    
 C   -2.852900     -0.5525000      0.4683000    
 C    5.453400      0.2604000       1.013000    
 C   -3.073200      0.3165000     -0.5991000    
 C   -3.968000      -1.190900       1.053000    
 C   -4.347200      0.5792000      -1.115600    
 C   0.3193000       3.845500       1.357100    
 C   -5.249100     -0.9387000      0.5489000    
 C   -5.433600     -6.6399999E-02 -0.5203000    
 H    1.389500      0.2708000       1.626100    
 H    2.400500      -1.200900      -2.792000    
 H    3.148900       1.400600      0.2373000    
 H    1.460000       1.099100      -2.438300    
 H   0.2283000     -0.1384000      -2.456300    
 H    4.192600     -0.9966000      -1.111800    
 H    3.798700      0.5877000      -1.766500    
 H   0.6683000      -2.322900      -1.318300    
 H   0.9128000      -2.667500       2.110500    
 H   1.0500000E-02  -3.039400      0.6691000    
 H    4.032300      -1.299700       1.368300    
 H    3.747600      0.1695000       2.297800    
 H  -0.3796000     -0.6605000       2.552300    
 H   -1.436500      -2.022800       2.282200    
 H   -1.703800       1.458700      -1.738000    
 H    2.247700      -3.738500     -0.3327000    
 H    5.855800     -0.1760000      9.4800003E-02
 H    5.500500       1.350700      0.9246000    
 H    6.121000     -3.4200002E-02   1.829800    
 H   -3.844600      -1.875000       1.887800    
 H   -4.490700       1.260200      -1.947900    
 H  -2.0199999E-02   3.961400       2.389700    
 H  -0.3578000       4.399500      0.7001000    
 H    1.339700       4.232300       1.276900    
 H   -6.107900      -1.430200      0.9980000    
 H   -6.436400      0.1165000     -0.8975000    


%chk=000165239-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165239

0 1
O 2.830101 -3.004743 -0.986972
O 0.853555 2.595488 0.980554
O 0.311865 2.982153 -1.243675
N 1.363743 -1.548884 0.369017
N -1.896779 0.836097 -0.981408
C 1.531969 -0.094622 0.561106
C 0.566765 0.641347 -0.448940
C 2.160421 -0.827536 -1.815205
C 3.008913 0.317566 0.287046
C 1.010250 0.206012 -1.904079
C 3.399552 -0.186885 -1.142829
C 1.700633 -2.027380 -0.960695
C -0.885327 0.254569 -0.188050
C 0.404722 -2.316470 1.185838
C 3.951966 -0.214775 1.392449
C 0.586324 2.176405 -0.318776
C -1.473826 -0.635209 0.721307
C -0.768207 -1.473546 1.759778
C -2.905794 -0.598779 0.474191
C 5.398324 0.309778 1.262052
C -3.141655 0.337460 -0.595593
C -4.015624 -1.264306 1.059443
C -4.436511 0.621231 -1.081476
C 0.759764 4.058032 1.220121
C -5.310156 -0.987559 0.577858
C -5.518910 -0.054162 -0.481032
H 1.266936 0.176961 1.594833
H 2.414199 -1.196739 -2.824664
H 3.049685 1.425140 0.320847
H 1.344052 1.087360 -2.480051
H 0.148815 -0.227332 -2.443681
H 4.193871 -0.949842 -1.078574
H 3.776307 0.639840 -1.773136
H 0.821535 -2.537361 -1.420711
H 0.909306 -2.822300 2.038086
H -0.016231 -3.113596 0.537238
H 3.944063 -1.321168 1.357038
H 3.549972 0.079321 2.384540
H -0.390242 -0.839642 2.586635
H -1.486861 -2.173577 2.227072
H -1.721872 1.565343 -1.673919
H 2.633523 -3.718844 -0.328412
H 5.846911 0.019083 0.294482
H 5.430814 1.414327 1.329645
H 6.043337 -0.096092 2.063070
H -3.872844 -1.980520 1.877038
H -4.600512 1.336596 -1.895065
H 1.029700 4.185381 2.277488
H -0.268488 4.406001 1.026233
H 1.457898 4.598688 0.559690
H -6.174812 -1.493604 1.021728
H -6.538241 0.139893 -0.833280


