%chk=000050270.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050270

0 1
 O   0.4064000       1.568100     -0.6474000    
 O   -2.858200      -1.375300       1.086200    
 O   -1.333000       2.997900      -1.047500    
 N    4.512900       1.166000      0.3268000    
 N   -1.662400      0.8906000     -7.2999999E-02
 C    5.147400       1.335900       1.633600    
 C    4.572500     -0.2708000      5.9700001E-02
 C    6.352600      0.4106000       1.550800    
 C    5.976100     -0.6433000      0.5138000    
 C    3.151600       1.680100      0.2991000    
 C    2.725500       1.973400      -1.135800    
 C    1.311100       2.534200      -1.195100    
 C  -0.7859000      -2.737000     -0.3963000    
 C   0.5060000      -3.549800     -0.5195000    
 C   -1.879100      -3.450200      0.3976000    
 C    1.608500      -2.825600      -1.293000    
 C   -3.153400      -2.618800      0.4652000    
 C  -0.9156000       1.925100     -0.6290000    
 C    2.842500      -3.701500      -1.449800    
 C   -3.623500     -0.3008000      0.7137000    
 C   -3.041800      0.8288000      0.1380000    
 C   -5.002600     -0.3477000      0.9181000    
 C   -3.839300       1.911200     -0.2336000    
 C   -5.800000      0.7347000      0.5465000    
 C   -5.218400       1.864200     -2.9300001E-02
 H    5.448200       2.372300       1.816600    
 H    4.486900       1.013200       2.448800    
 H    3.836800     -0.8298000      0.6522000    
 H    4.422700     -0.5096000     -0.9976000    
 H    7.242000      0.9578000       1.217000    
 H    6.580200     -3.9700001E-02   2.522300    
 H    6.007700      -1.654100      0.9328000    
 H    6.680100     -0.6051000     -0.3258000    
 H    3.110200       2.629400      0.8500000    
 H    2.451900       1.000700      0.8016000    
 H    3.416500       2.687400      -1.599800    
 H    2.758000       1.049100      -1.725300    
 H    1.246000       3.465700     -0.6209000    
 H    1.039700       2.733400      -2.238000    
 H   -1.157000      -2.487500      -1.397500    
 H  -0.5282000      -1.798700      0.1001000    
 H   0.8731000      -3.798600      0.4841000    
 H   0.2791000      -4.500800      -1.017500    
 H   -1.511900      -3.635900       1.414200    
 H   -2.101300      -4.422000     -5.7300001E-02
 H    1.240600      -2.543000      -2.286000    
 H    1.879900      -1.900200     -0.7727000    
 H   -3.551200      -2.472500     -0.5474000    
 H   -3.905200      -3.146800       1.062300    
 H    3.618900      -3.164800      -2.004100    
 H    2.606300      -4.619300      -1.997500    
 H    3.252800      -3.978300     -0.4734000    
 H   -1.131400      8.5699998E-02  0.2400000    
 H   -5.469400      -1.216800       1.373600    
 H   -3.466300       2.820100     -0.6841000    
 H   -6.873500      0.6990000      0.7073000    
 H   -5.840600       2.706600     -0.3177000    


%chk=000050270-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050270

0 1
O 0.208096 2.234519 0.713859
O -2.680080 -1.067677 0.472564
O -1.385428 3.630811 -0.344900
N 4.338051 1.052508 -0.000004
N -1.809677 1.372178 0.237651
C 5.061758 0.018659 0.784970
C 4.143431 0.434251 -1.338457
C 6.129717 -0.507257 -0.204027
C 5.484708 -0.298881 -1.617114
C 3.103524 1.535926 0.653205
C 2.479254 2.743063 -0.076107
C 1.245166 3.299201 0.642675
C -0.512711 -3.064577 0.057483
C 0.798850 -3.633232 0.643310
C -1.722628 -3.217271 1.007250
C 2.009497 -3.438453 -0.298635
C -2.984758 -2.510548 0.501792
C -1.052990 2.522217 0.145288
C 3.334927 -3.953975 0.301632
C -3.618308 -0.178734 -0.085812
C -3.135084 1.161514 -0.209871
C -4.920591 -0.516491 -0.499448
C -3.976350 2.155965 -0.756638
C -5.757264 0.488512 -1.044916
C -5.285098 1.812270 -1.171093
H 5.492593 0.456338 1.703309
H 4.377132 -0.817394 1.090267
H 3.296491 -0.303156 -1.319169
H 3.907226 1.196960 -2.100239
H 7.055828 0.085841 -0.115863
H 6.382052 -1.563436 -0.004781
H 5.309634 -1.254516 -2.141844
H 6.142329 0.316176 -2.254553
H 3.364128 1.840548 1.686658
H 2.338459 0.720802 0.735476
H 3.238129 3.547317 -0.146020
H 2.195713 2.470160 -1.109818
H 1.472947 3.572075 1.689550
H 0.814741 4.171205 0.118813
H -0.735751 -3.565852 -0.907514
H -0.370688 -1.990892 -0.173533
H 1.010194 -3.137149 1.613870
H 0.675418 -4.714039 0.866068
H -1.469035 -2.812363 2.006747
H -1.962302 -4.290685 1.148723
H 1.810273 -3.954260 -1.260127
H 2.108786 -2.359339 -0.540303
H -3.253414 -2.845821 -0.521624
H -3.846287 -2.686870 1.177383
H 4.179837 -3.804231 -0.396173
H 3.273889 -5.034389 0.532061
H 3.576481 -3.423027 1.242307
H -1.350680 0.552751 0.646761
H -5.288628 -1.542096 -0.401439
H -3.595965 3.174965 -0.857660
H -6.771330 0.229715 -1.367286
H -5.932714 2.587065 -1.594606


