%chk=000043729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043729

0 1
 O   -1.707000     -0.8344000     -0.1893000    
 O    6.805900     -0.3267000     -0.1232000    
 O    6.201800       1.687200      0.5081000    
 N   -5.202600      0.2647000      0.2096000    
 N  -0.4898000     -0.1678000      2.6000000E-03
 N    5.919100      0.5188000      0.1480000    
 C   -4.088600     -0.6314000     -9.8899998E-02
 C   -5.158800       1.448600     -0.6478000    
 C   -6.478200     -0.4331000      5.2900001E-02
 C   -2.758400      7.6200001E-02  0.1044000    
 C   -6.273800       2.420100     -0.2998000    
 C   -6.541300      -1.666800      0.9373000    
 C    1.889600     -0.5949000     -0.1569000    
 C   0.4747000     -0.9873000     -0.2620000    
 C    2.875400      -1.522100     -0.4560000    
 C    2.210300      0.6936000      0.2407000    
 C    4.554300      0.1420000      4.3800000E-02
 C    4.216400      -1.151200     -0.3551000    
 C    3.551200       1.064400      0.3415000    
 H   -4.068600      -1.502800      0.5646000    
 H   -4.149500      -1.023500      -1.123100    
 H   -4.243700       2.024000     -0.4862000    
 H   -5.207600       1.189700      -1.712900    
 H   -7.308100      0.2043000      0.3751000    
 H   -6.664700     -0.7184000     -0.9901000    
 H   -2.658500      0.4266000       1.139200    
 H   -2.624500      0.9208000     -0.5767000    
 H   -7.251400       2.079700     -0.6545000    
 H   -6.330500       2.604800      0.7786000    
 H   -6.085900       3.384400     -0.7857000    
 H   -5.947000      -2.496800      0.5429000    
 H   -6.220800      -1.451100       1.962500    
 H   -7.575700      -2.025600      0.9899000    
 H   0.2672000      -2.025500     -0.5809000    
 H    2.624400      -2.532200     -0.7672000    
 H    1.448900       1.430800      0.4787000    
 H    4.970900      -1.896300     -0.5948000    
 H    3.777400       2.080200      0.6556000    


%chk=000043729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043729

0 1
O -1.717613 -0.822873 -0.563583
O 6.939459 -0.320040 0.085684
O 6.238227 1.527218 1.229416
N -5.289147 0.199439 -0.133524
N -0.464224 -0.247507 -0.137760
N 6.010716 0.455547 0.542466
C -4.129826 -0.612669 -0.578104
C -5.564303 1.351114 -1.036483
C -6.497081 -0.611124 0.175962
C -2.835662 -0.008897 -0.014705
C -6.264341 2.522583 -0.321929
C -6.377754 -1.382161 1.504263
C 1.926426 -0.586046 -0.272349
C 0.545137 -0.976330 -0.573531
C 2.991115 -1.401470 -0.753194
C 2.235825 0.583430 0.485800
C 4.603650 0.095552 0.262035
C 4.331315 -1.068238 -0.490284
C 3.568576 0.927214 0.754479
H -4.233963 -1.643879 -0.198104
H -4.056968 -0.683686 -1.688850
H -4.594684 1.709889 -1.430424
H -6.165491 1.034714 -1.926283
H -7.353854 0.082669 0.249809
H -6.736364 -1.321710 -0.655340
H -2.823538 -0.062521 1.087841
H -2.697656 1.041705 -0.328750
H -7.255154 2.233562 0.072387
H -5.650215 2.871192 0.526420
H -6.416733 3.365330 -1.021709
H -5.547914 -2.112468 1.487090
H -6.195496 -0.679094 2.335417
H -7.308954 -1.942299 1.710008
H 0.371177 -1.887025 -1.168607
H 2.761668 -2.300995 -1.335759
H 1.415196 1.206393 0.853403
H 5.161409 -1.681203 -0.850525
H 3.829539 1.817687 1.332218


