%chk=000082771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082771

0 1
 O   -1.043000      -1.327600       1.285300    
 O   -6.675000      0.2837000     -0.1250000    
 N  -0.4788000     -0.6295000      0.3513000    
 N   -1.140300      0.1018000     -0.4828000    
 C    5.200200     -0.6524000     -0.1843000    
 C    5.790700      0.7486000     -1.0700000E-02
 C    3.699600     -0.6462000     -4.2800002E-02
 C    7.308500      0.7363000     -0.1920000    
 C    3.132700     -0.8375000       1.208300    
 C    2.910200     -0.4496000      -1.165900    
 C    7.896900       2.132000     -6.1000001E-02
 C   0.9384000     -0.6353000      0.2176000    
 C    1.743900     -0.8321000       1.339200    
 C    1.521400     -0.4440000      -1.034900    
 C   -2.543500      0.1478000     -0.3921000    
 C   -3.150800       1.107500      0.4105000    
 C   -3.310600     -0.7663000      -1.106200    
 C   -5.317600      0.2398000     -0.2134000    
 C   -4.542000       1.153500      0.5002000    
 C   -4.701900     -0.7201000      -1.016600    
 C   -7.238900       1.289500      0.7154000    
 H    5.636800      -1.339200      0.5523000    
 H    5.472800      -1.058100      -1.167200    
 H    5.541900       1.139400      0.9841000    
 H    5.341200       1.434600     -0.7401000    
 H    7.767100      7.9300001E-02  0.5560000    
 H    7.562800      0.3323000      -1.178800    
 H    3.751800     -0.9882000       2.088100    
 H    3.355200     -0.3004000      -2.145700    
 H    8.982900       2.099400     -0.1925000    
 H    7.686600       2.555100      0.9265000    
 H    7.483100       2.805100     -0.8188000    
 H    1.310800     -0.9758000       2.325600    
 H   0.9189000     -0.2992000      -1.927800    
 H   -2.552500       1.822500      0.9689000    
 H   -2.838300      -1.516900      -1.734200    
 H   -4.954500       1.924300       1.142200    
 H   -5.300800      -1.434700      -1.574700    
 H   -8.327000       1.178200      0.6673000    
 H   -7.004100       2.295700      0.3518000    
 H   -6.949000       1.148200       1.762200    


%chk=000082771-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082771

0 1
O -0.727595 -1.876456 1.174148
O -6.817458 0.332114 0.611132
N -0.409320 -0.861172 0.381304
N -1.230429 0.038860 -0.137140
C 5.243887 -0.298643 -0.898281
C 5.944093 0.688653 0.079152
C 3.762862 -0.460628 -0.600033
C 7.450568 0.856483 -0.220245
C 3.295093 -1.506768 0.236680
C 2.811401 0.460574 -1.115731
C 8.144882 1.841313 0.744977
C 1.009993 -0.701661 0.030164
C 1.928339 -1.635662 0.556507
C 1.441447 0.351134 -0.809800
C -2.615793 0.005365 0.125024
C -3.322271 1.060107 -0.529686
C -3.363536 -0.917041 0.933754
C -5.435265 0.289308 0.404457
C -4.711631 1.210834 -0.399706
C -4.752066 -0.765273 1.063162
C -7.575811 1.402287 -0.045105
H 5.753663 -1.279880 -0.834967
H 5.386587 0.071262 -1.932932
H 5.807829 0.329283 1.119055
H 5.441093 1.675202 0.022719
H 7.947125 -0.133735 -0.161466
H 7.578658 1.206642 -1.265099
H 4.011310 -2.232637 0.639856
H 3.150703 1.272360 -1.770618
H 9.221366 1.941849 0.514478
H 8.053915 1.499617 1.793181
H 7.689878 2.847671 0.680502
H 1.554293 -2.437954 1.197114
H 0.704585 1.053459 -1.204628
H -2.741271 1.756367 -1.142719
H -2.843525 -1.729078 1.440316
H -5.215924 2.031769 -0.917195
H -5.335612 -1.459262 1.675926
H -8.620615 1.237051 0.255003
H -7.488448 1.337892 -1.146769
H -7.241198 2.399893 0.298808


