%chk=000085106.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085106

0 1
 O    2.074200      0.6679000       1.868300    
 O   -6.173200       1.865100     -9.5299996E-02
 O   -6.606000      6.4400002E-02  -1.462300    
 N    3.192500     -0.4021000      7.1900003E-02
 N    3.016500      -1.536100     -0.6914000    
 N   3.5000001E-03 -0.9334000      0.4468000    
 N  -0.9235000      -1.323800       1.194100    
 C    1.300000      -1.418300      0.8856000    
 C    1.953300      -2.130100     -0.2500000    
 C    2.205600     -0.2339000       1.057700    
 C    4.262200      0.4382000     -0.1922000    
 C    1.425000      -3.408000     -0.8043000    
 C    4.449300       1.602700      0.5617000    
 C    5.167000      0.1314000      -1.215200    
 C    5.526100       2.448700      0.2963000    
 C    6.243900      0.9774000      -1.480400    
 C   -2.156100     -0.8313000      0.7337000    
 C    6.423400       2.136000     -0.7246000    
 C   -2.899900      -1.574500     -0.1781000    
 C   -2.625600      0.3957000       1.193200    
 C   -4.598900      0.1430000     -0.1777000    
 C   -4.124000      -1.086100     -0.6350000    
 C   -3.849800      0.8840000      0.7364000    
 C   -5.875400      0.6520000     -0.6536000    
 C   -7.410100       2.471100     -0.4858000    
 H    1.295100      -2.041300       1.785700    
 H    1.337300      -4.143100     -9.9999997E-05
 H    2.097300      -3.795600      -1.574100    
 H   0.4388000      -3.236800      -1.243100    
 H    3.799300       1.913100       1.368200    
 H    5.062800     -0.7615000      -1.826200    
 H    5.667100       3.351100      0.8841000    
 H    6.943100      0.7344000      -2.275200    
 H    7.261900       2.794600     -0.9312000    
 H   -2.537300      -2.533400     -0.5389000    
 H   -2.048000      0.9785000       1.905900    
 H   -4.691900      -1.679300      -1.346900    
 H   -4.179600       1.845400       1.119900    
 H   -7.413400       2.660500      -1.563300    
 H   -7.503000       3.424900      4.0100001E-02
 H   -8.249900       1.829300     -0.2036000    


%chk=000085106-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085106

0 1
O 2.120691 0.309944 1.930487
O -6.457777 1.678389 -0.758139
O -7.289532 0.148881 0.790852
N 3.361244 -0.354747 -0.008563
N 3.195401 -1.280189 -1.096986
N -0.015562 -0.856829 0.000493
N -0.950962 -1.333842 0.768902
C 1.305368 -1.452821 0.321177
C 2.041432 -1.896120 -0.935342
C 2.275485 -0.372468 0.889354
C 4.554474 0.433063 0.033681
C 1.527732 -2.904707 -1.912369
C 4.758963 1.380022 1.072218
C 5.533749 0.257466 -0.978501
C 5.945970 2.143053 1.084042
C 6.711852 1.030733 -0.947438
C -2.257751 -0.773418 0.537838
C 6.927715 1.977503 0.080866
C -3.300599 -1.362549 1.297904
C -2.536764 0.297745 -0.357068
C -4.903890 0.166322 0.263843
C -4.620568 -0.896980 1.159073
C -3.854567 0.762117 -0.490502
C -6.319189 0.628250 0.153934
C -7.835411 2.198706 -0.923327
H 1.198735 -2.270920 1.064046
H 1.339211 -3.877364 -1.420201
H 2.250577 -3.052296 -2.730273
H 0.564763 -2.567122 -2.339940
H 4.003862 1.511387 1.849861
H 5.359134 -0.473901 -1.770343
H 6.099310 2.872341 1.887172
H 7.463672 0.891233 -1.732183
H 7.845277 2.575181 0.099574
H -3.049054 -2.176043 1.985442
H -1.713961 0.745022 -0.922316
H -5.443227 -1.335412 1.732273
H -4.092311 1.585474 -1.169187
H -8.504778 1.398526 -1.281283
H -7.744305 3.003358 -1.665985
H -8.214809 2.583815 0.038015


