%chk=000052358.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052358

0 1
 O   -1.571600       1.305600      0.1055000    
 O    3.698200       2.202500     -0.2459000    
 O    4.316100      -2.433900      0.1239000    
 N   0.7738000       1.608300     -4.1600000E-02
 N  -3.4299999E-02 -0.4577000      0.1793000    
 N    2.140100      -1.610300      0.1658000    
 N    4.032800     -0.1162000     -6.1900001E-02
 C   -5.448200     -0.3683000     -0.2983000    
 C   -2.629600      0.3632000      0.2418000    
 C   -4.995900      0.1105000       1.088200    
 C   -4.289000      -1.032300      -1.054500    
 C   -3.778700       1.026000      0.9969000    
 C   -3.073700     -0.1139000      -1.139500    
 C   -6.632300      -1.325800     -0.1784000    
 C  -0.2977000      0.8029000      8.3499998E-02
 C    1.855200      0.7749000     -2.5100000E-02
 C    1.332900     -0.4824000      0.1106000    
 C    3.248600       1.066300     -0.1232000    
 C   0.7868000       3.047100     -0.1674000    
 C    3.547600      -1.466400      8.0600001E-02
 C    1.536700      -2.929200      0.3111000    
 C    5.482000      2.9100001E-02 -0.1512000    
 H   -5.779100      0.5064000     -0.8741000    
 H   -2.312900     -0.4993000      0.8448000    
 H   -5.814300      0.6458000       1.584100    
 H   -4.751900     -0.7527000       1.720600    
 H   -4.001400      -1.965400     -0.5533000    
 H   -4.609800      -1.302300      -2.067700    
 H   -4.055200       1.965500      0.5007000    
 H   -3.446300       1.309900       2.002900    
 H   -2.251500     -0.6364000      -1.642600    
 H   -3.304800      0.7525000      -1.772900    
 H   -6.977800      -1.641800      -1.168300    
 H   -6.363500      -2.223200      0.3890000    
 H   -7.472400     -0.8421000      0.3311000    
 H  -0.2341000       3.435000     -0.1476000    
 H    1.352500       3.461300      0.6710000    
 H    1.258600       3.305700      -1.118700    
 H   0.9642000      -2.957500       1.243400    
 H    2.294100      -3.716600      0.3382000    
 H   0.8692000      -3.110200     -0.5371000    
 H    5.933800     -0.3916000      0.7528000    
 H    5.791400       1.071300     -0.2571000    
 H    5.840100     -0.5432000      -1.012900    


%chk=000052358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052358

0 1
O -1.565763 1.323991 0.224312
O 3.842542 2.226229 -0.231301
O 4.421717 -2.453132 0.015809
N 0.777527 1.626977 0.022378
N 0.013329 -0.533070 0.205992
N 2.224392 -1.633919 0.118762
N 4.102062 -0.133098 -0.104616
C -5.522616 -0.371568 -0.345241
C -2.711716 0.342326 0.332087
C -5.130510 0.217742 1.035131
C -4.313138 -1.117582 -0.965263
C -3.875277 1.122181 0.950084
C -3.055471 -0.217676 -1.057044
C -6.758550 -1.288692 -0.237250
C -0.315676 0.788847 0.149564
C 1.909623 0.779903 -0.004635
C 1.397863 -0.521987 0.109917
C 3.307720 1.077478 -0.122931
C 0.764005 3.094065 -0.061035
C 3.628439 -1.467191 0.009130
C 1.658709 -2.989983 0.242710
C 5.571488 0.010572 -0.214809
H -5.774099 0.479399 -1.015813
H -2.373254 -0.474183 0.998490
H -5.974702 0.798471 1.453560
H -4.940114 -0.618671 1.740450
H -4.085049 -2.011465 -0.346877
H -4.573162 -1.490188 -1.974542
H -4.090489 2.005875 0.317727
H -3.591034 1.493718 1.951674
H -2.198029 -0.790899 -1.452171
H -3.248957 0.630061 -1.743710
H -7.048588 -1.690036 -1.226142
H -6.553195 -2.149696 0.428087
H -7.628663 -0.744871 0.175332
H -0.282090 3.431731 -0.011291
H 1.339537 3.528870 0.771997
H 1.222864 3.425818 -1.006283
H 1.105908 -3.085516 1.192493
H 2.496989 -3.701165 0.218081
H 0.964929 -3.189195 -0.591353
H 6.061789 -0.417374 0.674949
H 5.788040 1.085711 -0.296281
H 5.939369 -0.527704 -1.103628


