%chk=000063407.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063407

0 1
 O    6.630800      -1.948000      -1.098100    
 O    1.685800       1.832300       1.852600    
 O   -3.968300       1.289900     -0.5549000    
 N    4.517100     -0.7890000      0.4152000    
 N   6.2799998E-02   1.137700      0.3034000    
 N   -2.080700     -3.1700000E-02 -0.1384000    
 C    3.636300      0.3214000      0.7716000    
 C    4.336500      -1.166900     -0.9932000    
 C    5.922600     -0.4415000      0.6670000    
 C    2.191200     -9.7300000E-02  0.5895000    
 C  -0.6215000     -5.5000000E-02 -0.2089000    
 C    5.273800      -2.318700      -1.344400    
 C    6.823200      -1.609800      0.2759000    
 C    1.295500       1.059100      0.9746000    
 C  -0.5782000       2.384500      1.5000000E-02
 C   -1.934400       2.406400     -0.3466000    
 C   -2.762100       1.172200     -0.3504000    
 C   -2.782500      -1.289000     -3.2299999E-02
 C   0.1200000       3.605300      3.3500001E-02
 C   -2.567400       3.622800     -0.6599000    
 C  -0.5144000       4.810300     -0.2795000    
 C   -1.858200       4.819700     -0.6245000    
 C   -4.077500      -1.316400      0.4767000    
 C   -2.159600      -2.464800     -0.4399000    
 C   -4.755700      -2.530900      0.5794000    
 C   -2.838000      -3.679400     -0.3373000    
 C   -4.136000      -3.712300      0.1723000    
 C   -4.861300      -5.010900      0.2815000    
 H    3.857000       1.216800      0.1747000    
 H    3.811500      0.5858000       1.822400    
 H    4.540900     -0.3121000      -1.650900    
 H    3.330300      -1.536300      -1.204800    
 H    6.075500     -0.2158000       1.728500    
 H    6.204800      0.4463000      8.6099997E-02
 H    1.965800     -0.3365000     -0.4518000    
 H    1.941200     -0.9581000       1.219500    
 H  -0.2520000     -0.9063000      0.3710000    
 H  -0.3302000     -0.1753000      -1.259900    
 H    5.033200      -3.225400     -0.7758000    
 H    5.184400      -2.561900      -2.408200    
 H    7.873700      -1.330300      0.4057000    
 H    6.635400      -2.492100      0.8999000    
 H    1.180800       3.645700      0.2656000    
 H   -3.619300       3.660400     -0.9320000    
 H   4.8599999E-02   5.739000     -0.2600000    
 H   -4.579700     -0.4340000      0.8582000    
 H   -1.162500      -2.481600     -0.8689000    
 H   -2.353300       5.754700     -0.8686000    
 H   -5.762900      -2.545700      0.9878000    
 H   -2.347900      -4.592400     -0.6651000    
 H   -5.560500      -5.003200       1.124600    
 H   -5.422200      -5.206300     -0.6378000    
 H   -4.165200      -5.839500      0.4508000    


%chk=000063407-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063407

0 1
O 6.032598 -3.178155 0.004108
O 1.944026 2.578755 0.505656
O -3.945504 1.267143 0.574797
N 4.021048 -1.097582 0.330066
N -0.001552 1.765759 -0.495555
N -1.977049 0.347042 -0.337444
C 3.458633 0.270786 0.236652
C 4.285773 -1.719419 -0.994667
C 5.258447 -1.122161 1.157287
C 2.002477 0.258471 -0.271537
C -0.772047 0.683992 -1.133417
C 4.807629 -3.154344 -0.809673
C 5.760421 -2.565009 1.316188
C 1.331819 1.621554 -0.049971
C -0.780414 2.959852 -0.308684
C -2.184759 2.781066 -0.124556
C -2.796660 1.424262 0.062386
C -2.344964 -1.033983 -0.160422
C -0.228218 4.263686 -0.325108
C -3.021767 3.915094 0.012072
C -1.081320 5.379092 -0.191128
C -2.478676 5.212600 -0.029265
C -3.012101 -1.464270 1.016663
C -2.021247 -1.991642 -1.154623
C -3.330239 -2.824683 1.186094
C -2.337141 -3.354633 -0.962804
C -2.998000 -3.799299 0.207471
C -3.358255 -5.260692 0.406970
H 4.076634 0.941150 -0.410004
H 3.467345 0.718415 1.245479
H 5.035953 -1.126639 -1.578326
H 3.348873 -1.755718 -1.581442
H 5.028875 -0.700097 2.153759
H 6.070397 -0.502923 0.699035
H 1.967231 -0.005836 -1.346977
H 1.455749 -0.534939 0.276071
H -0.155296 -0.216648 -1.223374
H -1.070375 1.021691 -2.147173
H 4.022188 -3.772552 -0.323191
H 5.087362 -3.603008 -1.777341
H 6.718172 -2.596384 1.861202
H 4.999745 -3.166620 1.858937
H 0.848700 4.395340 -0.430673
H -4.089861 3.741453 0.177250
H -0.649327 6.385575 -0.214678
H -3.287534 -0.734177 1.779828
H -1.553577 -1.683455 -2.096676
H -3.129881 6.086393 0.074771
H -3.844295 -3.138518 2.102815
H -2.077503 -4.078203 -1.744642
H -3.006091 -5.633188 1.386742
H -4.454535 -5.409898 0.378750
H -2.914702 -5.898598 -0.376793


