%chk=000226441.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226441

0 1
 O   -3.158200       1.790200     -0.2457000    
 O    2.378000       1.038600      -1.170100    
 O   -1.593800       1.393400       1.428200    
 O    2.840100       2.355000      0.6912000    
 N   -1.515200       3.333600      0.1587000    
 N    1.199200       2.948500     -0.8391000    
 C   -3.344500     -0.5951000     -0.5769000    
 C    3.064200     -0.8866000      0.1172000    
 C   -3.980100      -1.811000     -0.2294000    
 C    4.110100      -1.746400      0.5295000    
 C   -3.742000      0.5931000      5.7399999E-02
 C    3.377200      0.1622000     -0.7362000    
 C  -0.3575000       3.935100      0.7785000    
 C   0.7678000       4.170000     -0.2153000    
 C   -2.330100     -0.6037000      -1.548200    
 C    1.759300      -1.121400      0.5805000    
 C   -4.994300      -1.802600      0.7421000    
 C    5.415000      -1.511800      6.6000000E-02
 C   -3.582700      -2.999400     -0.8634000    
 C    3.820400      -2.815500       1.392700    
 C   -4.751800      0.5831000       1.020100    
 C    4.656600      0.4010000      -1.196500    
 C   -5.376600     -0.6126000       1.361900    
 C    5.685000     -0.4447000     -0.7913000    
 C   -1.948200      -1.793700      -2.168100    
 C    1.489600      -2.188400       1.438000    
 C   -2.573300      -2.989400      -1.826500    
 C    2.518200      -3.033700       1.843500    
 C   -2.034400       2.112400      0.5362000    
 C    2.202100       2.139900     -0.3352000    
 H  -0.6827000       4.891500       1.200800    
 H  -1.1100000E-02   3.304900       1.604700    
 H    1.619300       4.639000      0.2890000    
 H   0.4363000       4.837700      -1.017800    
 H   -1.820900      0.3114000      -1.842100    
 H   0.9301000     -0.4843000      0.2811000    
 H   -5.496600      -2.725500       1.024900    
 H    6.234400      -2.160000      0.3697000    
 H   -4.057300      -3.945600     -0.6118000    
 H    4.608600      -3.489200       1.722400    
 H   -5.056800       1.505400       1.507400    
 H    4.869100       1.230100      -1.864400    
 H   -6.162500     -0.6199000       2.111500    
 H    6.698600     -0.2744000      -1.142500    
 H   -1.161900      -1.786600      -2.917500    
 H   0.4756000      -2.359600       1.787700    
 H   -2.275000      -3.915500      -2.309200    
 H    2.307300      -3.864500       2.510600    
 H   -1.990200       3.848800     -0.5763000    
 H   0.7363000       2.655600      -1.694200    


%chk=000226441-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226441

0 1
O -2.725264 1.249127 -0.304155
O 2.901639 0.883316 -0.884505
O -0.704006 0.981456 0.937422
O 3.137732 2.741074 0.584088
N -1.335477 3.011003 -0.070515
N 1.529863 2.673152 -1.125965
C -3.977658 -0.625887 -1.159865
C 3.497932 -0.663286 0.947333
C -4.601606 -1.918653 -0.958399
C 4.511081 -1.495247 1.568804
C -3.246453 -0.055636 -0.061879
C 3.890983 0.113314 -0.193253
C -0.168583 3.802206 0.343902
C 0.903348 3.947554 -0.768292
C -4.110720 0.027624 -2.428351
C 2.167614 -0.652287 1.480670
C -4.465784 -2.578586 0.307396
C 5.840165 -1.514595 1.028870
C -5.338088 -2.503347 -2.041715
C 4.149796 -2.282084 2.712350
C -3.125625 -0.705267 1.166583
C 5.182407 0.083393 -0.709218
C -3.742462 -1.982691 1.341203
C 6.168893 -0.743728 -0.087667
C -4.833346 -0.572218 -3.462582
C 1.853325 -1.433819 2.594856
C -5.453733 -1.847335 -3.268681
C 2.848333 -2.252842 3.217501
C -1.490544 1.686668 0.266376
C 2.567278 2.169554 -0.372012
H -0.508855 4.807837 0.655221
H 0.288719 3.309600 1.218501
H 1.691216 4.627842 -0.398171
H 0.460469 4.394030 -1.677236
H -3.636809 1.002991 -2.569534
H 1.391830 -0.035612 1.018101
H -4.937051 -3.557611 0.450179
H 6.596802 -2.147241 1.507631
H -5.810141 -3.481118 -1.888759
H 4.915883 -2.909385 3.183927
H -2.554731 -0.254065 1.979994
H 5.427747 0.693224 -1.583880
H -3.639132 -2.489997 2.306130
H 7.184939 -0.763205 -0.495668
H -4.928115 -0.066643 -4.429910
H 0.833272 -1.418177 2.993525
H -6.018421 -2.305648 -4.087912
H 2.583218 -2.858162 4.091658
H -2.087571 3.444458 -0.608127
H 1.116389 2.064353 -1.832170


