%chk=000004062.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004062

0 1
 O  -0.4782000      0.3485000       1.577000    
 N   -2.853000      0.8984000      0.4377000    
 N   0.4549000     -8.9199997E-02 -0.5383000    
 C   -1.912000      2.4700001E-02 -0.2874000    
 C   -2.342800      -1.447700     -0.2403000    
 C   -3.766000      -1.633400     -0.7478000    
 C   -4.710000     -0.6993000     -4.8000002E-03
 C   -4.223400      0.7468000     -8.3700001E-02
 C  -0.5705000      0.1157000      0.3761000    
 C   -2.465600       2.312400      0.3543000    
 C    1.847600     -7.9300001E-02 -0.2870000    
 C    2.551000       1.111400     -0.3939000    
 C    2.485800      -1.260400      6.1299998E-02
 C    3.923800       1.121100     -0.1473000    
 C    3.858700      -1.250600      0.3080000    
 C    1.879000       2.392700     -0.7689000    
 C    1.743200      -2.551800      0.1811000    
 C    4.577600     -5.9799999E-02  0.2037000    
 H   -1.841800      0.3486000      -1.335100    
 H   -2.273700      -1.831300      0.7871000    
 H   -1.661400      -2.062200     -0.8417000    
 H   -4.081400      -2.673700     -0.6124000    
 H   -3.804900      -1.420600      -1.823100    
 H   -5.716400     -0.7748000     -0.4318000    
 H   -4.783500      -1.007700       1.045800    
 H   -4.282400       1.093800      -1.124100    
 H   -4.911700       1.366600      0.5043000    
 H   -2.420400       2.663300     -0.6834000    
 H   -1.496900       2.509700      0.8228000    
 H   -3.188200       2.936800      0.8929000    
 H   0.2039000     -0.4277000      -1.464700    
 H    4.499300       2.039900     -0.2231000    
 H    4.384200      -2.161300      0.5834000    
 H    1.181400       2.700900      1.6700000E-02
 H    2.600000       3.205800     -0.9074000    
 H    1.334900       2.281700      -1.712800    
 H    1.018300      -2.500900       1.000100    
 H    1.218800      -2.782800     -0.7522000    
 H    2.415500      -3.391300      0.3891000    
 H    5.646600     -5.2200001E-02  0.3962000    


%chk=000004062-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004062

0 1
O -0.357807 0.534587 1.571596
N -2.845559 1.002739 -0.127242
N 0.473005 -0.107426 -0.525079
C -1.967160 -0.189424 -0.160286
C -2.566355 -1.335119 0.698792
C -4.004794 -1.677048 0.257815
C -4.875141 -0.402195 0.271881
C -4.222545 0.695791 -0.588088
C -0.555865 0.137549 0.389336
C -2.273208 2.165206 -0.833840
C 1.888474 -0.055007 -0.262301
C 2.505616 1.141694 0.204660
C 2.651797 -1.231158 -0.531425
C 3.904929 1.120564 0.433249
C 4.047495 -1.201200 -0.307358
C 1.720714 2.417861 0.422408
C 1.978172 -2.498121 -1.030343
C 4.673730 -0.034789 0.183474
H -1.861966 -0.563950 -1.221738
H -2.556541 -0.996076 1.750727
H -1.910520 -2.224630 0.625355
H -4.431439 -2.449602 0.924968
H -3.993667 -2.105287 -0.766420
H -5.891417 -0.614967 -0.111757
H -4.974328 -0.030743 1.309349
H -4.227563 0.369309 -1.664332
H -4.813786 1.628691 -0.528061
H -2.089622 1.977786 -1.923752
H -1.319191 2.458632 -0.364828
H -2.967663 3.019442 -0.747965
H 0.185179 -0.522061 -1.415913
H 4.391782 2.032257 0.798649
H 4.640343 -2.101707 -0.505930
H 1.068989 2.327481 1.310287
H 2.398606 3.277264 0.559608
H 1.061034 2.630784 -0.440191
H 1.142598 -2.797872 -0.370151
H 1.561535 -2.380564 -2.051688
H 2.698026 -3.332547 -1.070239
H 5.754411 -0.025343 0.363175


