%chk=000050812.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050812

0 1
 O  -0.8458000     -0.5825000     -5.4299999E-02
 O   -1.994900      -2.557200      0.2275000    
 N    2.808000      -1.015300     -0.1701000    
 N   -6.604900       1.887000      2.0800000E-02
 C    3.935100     -9.4700001E-02 -0.3065000    
 C    3.900300      0.9419000      0.8219000    
 C    5.252000     -0.8786000     -0.2966000    
 C    5.107500       1.876000      0.7569000    
 C    6.457400      5.7900000E-02 -0.3608000    
 C    6.420900       1.099000      0.7544000    
 C    1.544700     -0.2960000     -0.2278000    
 C   0.3913000      -1.284400     -5.2200001E-02
 C    1.438000      0.4722000      -1.545500    
 C   -1.964700      -1.343700      9.4599999E-02
 C   -3.183500     -0.4961000      7.4199997E-02
 C   -4.290400     -0.9021000      0.7913000    
 C   -3.171600      0.6722000     -0.6603000    
 C   -5.435100     -0.1052000      0.7730000    
 C   -4.316300       1.469000     -0.6784000    
 C   -5.448100       1.080400      3.8100000E-02
 H    3.913400      0.4180000      -1.275000    
 H    3.882900      0.4430000       1.799800    
 H    3.021700       1.591400      0.7707000    
 H    5.288600      -1.571400      -1.146400    
 H    5.321500      -1.488700      0.6138000    
 H    5.089000       2.563300       1.610400    
 H    5.045800       2.490700     -0.1497000    
 H    6.475000      0.5648000      -1.333500    
 H    7.381600     -0.5265000     -0.2888000    
 H    7.260200       1.793800      0.6378000    
 H    6.550900      0.6002000       1.722700    
 H    2.847100      -1.714700     -0.9115000    
 H    1.426700      0.4121000      0.5985000    
 H   0.3897000      -2.019300     -0.8676000    
 H   0.4974000      -1.817600      0.9011000    
 H   0.4188000      0.8444000      -1.699300    
 H    1.677000     -0.1620000      -2.407000    
 H    2.079300       1.358700      -1.572600    
 H   -4.291100      -1.820900       1.370000    
 H   -2.308600      0.9905000      -1.237400    
 H   -6.310500     -0.4183000       1.336500    
 H   -4.315000       2.389400      -1.256900    
 H   -7.426700       1.604600      0.5382000    
 H   -6.615500       2.745500     -0.5137000    


%chk=000050812-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050812

0 1
O -0.891671 -0.178114 0.782210
O -1.618072 -2.139446 -0.275270
N 2.786073 -0.710820 0.211938
N -6.984560 1.541371 -0.266950
C 3.991591 0.063705 -0.181017
C 4.314153 1.169322 0.855731
C 5.194624 -0.900152 -0.312864
C 5.601788 1.939756 0.476711
C 6.492201 -0.148278 -0.690349
C 6.805353 0.978248 0.323637
C 1.462103 -0.088315 -0.051868
C 0.472166 -0.751950 0.930358
C 0.991231 -0.203490 -1.523235
C -1.862570 -0.979148 0.150453
C -3.171055 -0.293822 0.061202
C -4.251426 -0.972731 -0.566463
C -3.391426 1.012572 0.577101
C -5.512846 -0.372436 -0.679201
C -4.650351 1.622420 0.471355
C -5.735187 0.939921 -0.159827
H 3.853423 0.561556 -1.175759
H 4.436042 0.681853 1.843466
H 3.462030 1.871220 0.945299
H 4.970864 -1.676697 -1.073702
H 5.329932 -1.421654 0.656872
H 5.819983 2.708958 1.242581
H 5.441914 2.478907 -0.480554
H 6.378692 0.294153 -1.701753
H 7.337697 -0.860896 -0.745864
H 7.706538 1.538352 0.006320
H 7.036639 0.526548 1.310503
H 2.818326 -1.666623 -0.173577
H 1.542372 0.982633 0.215669
H 0.420232 -1.842709 0.756067
H 0.774358 -0.544227 1.968764
H 0.046389 0.345523 -1.686511
H 0.817932 -1.261817 -1.794049
H 1.751883 0.216728 -2.206785
H -4.073543 -1.979135 -0.960158
H -2.563045 1.536387 1.062206
H -6.335962 -0.908869 -1.166679
H -4.807662 2.630137 0.874937
H -7.759090 1.058500 -0.713461
H -7.148961 2.473359 0.102817


