%chk=000068770.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068770

0 1
 O   -2.801200      0.5981000       1.521700    
 O    3.124100      -1.830800      0.3585000    
 O    5.825600      -2.431800      0.6399000    
 N   -4.320600      0.3782000     -0.2067000    
 N    5.046900      0.9316000     -0.6987000    
 N   -2.196600     -0.4410000     -0.4947000    
 C   -5.429300       1.021900      0.4623000    
 C   -6.320100       1.765200     -0.5387000    
 C   -6.238800      1.2300000E-02   1.283200    
 C   -7.135800      0.8142000      -1.414500    
 C   -7.054600     -0.9359000      0.4043000    
 C   -7.941100     -0.1732000     -0.5753000    
 C    5.151300       2.259900     -0.1101000    
 C   -3.064500      0.2114000      0.3855000    
 C    5.503500     -8.9000002E-02  0.2350000    
 C    5.394900      -1.497400     -0.3541000    
 C    4.283000       2.304200       1.151800    
 C    6.614900       2.544600      0.2470000    
 C    4.648800       3.287100      -1.130200    
 C    3.976800      -1.865200     -0.7851000    
 C  -0.8447000     -0.7956000     -0.2774000    
 C    1.822300      -1.492700      0.1505000    
 C  -0.1252000      -1.448300      -1.278400    
 C  -0.2306000     -0.4913000      0.9375000    
 C    1.208300      -1.796800      -1.064500    
 C    1.102900     -0.8398000       1.151500    
 H   -5.006300       1.760800       1.154200    
 H   -7.010900       2.415500      1.3200000E-02
 H   -5.712600       2.416900      -1.178300    
 H   -5.578100     -0.5741000       1.932900    
 H   -6.925800      0.5592000       1.941700    
 H   -7.816800       1.395700      -2.046600    
 H   -6.472800      0.2644000      -2.092700    
 H   -6.379600      -1.597900     -0.1517000    
 H   -7.676500      -1.578400       1.038000    
 H   -8.458200     -0.8808000      -1.233100    
 H   -8.715500      0.3692000     -1.8700000E-02
 H   -4.476700     -3.7000000E-02  -1.119800    
 H    5.596000      0.8800000      -1.556400    
 H    4.934700     -9.1799997E-02   1.170000    
 H    6.555400      3.9600000E-02  0.5122000    
 H    6.071500      -1.597100      -1.210400    
 H    4.720900       1.778900       2.007000    
 H    3.279400       1.900900      0.9701000    
 H    4.149600       3.342700       1.480500    
 H    6.742600       3.605800      0.4952000    
 H    7.287000       2.333600     -0.5933000    
 H    6.968600       1.989600       1.122100    
 H    5.249700       3.267800      -2.047100    
 H    3.606400       3.094100      -1.410200    
 H    4.698400       4.304400     -0.7255000    
 H   -2.574100     -0.6942000      -1.404400    
 H    3.654200      -1.176500      -1.575200    
 H    3.970200      -2.890000      -1.175000    
 H    5.195100      -2.390800       1.379300    
 H  -0.5942000      -1.696600      -2.227100    
 H  -0.7204000      1.2200000E-02   1.758800    
 H    1.722800      -2.330800      -1.858000    
 H    1.578200     -0.5994000       2.098700    


%chk=000068770-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068770

0 1
O -3.386137 0.558374 1.556293
O 2.904707 -1.050988 0.319065
O 5.102025 -2.642003 0.843234
N -4.859654 0.466584 -0.249463
N 6.109726 0.689325 -0.613317
N -2.586088 0.020582 -0.606756
C -6.031860 0.851146 0.571092
C -7.148494 1.407341 -0.346866
C -6.559093 -0.335908 1.424780
C -7.818041 0.307124 -1.210123
C -7.210821 -1.436656 0.557484
C -8.337310 -0.858597 -0.333654
C 6.231458 2.141588 -0.251675
C -3.592617 0.357046 0.319127
C 5.784459 -0.282268 0.454746
C 5.189974 -1.572954 -0.162259
C 4.837977 2.691841 0.142737
C 7.246081 2.383102 0.906021
C 6.721179 2.866554 -1.529187
C 3.820380 -1.327726 -0.807358
C -1.210053 -0.234438 -0.345355
C 1.552611 -0.789165 0.025485
C -0.368727 -0.512162 -1.452922
C -0.647424 -0.232250 0.962407
C 1.004313 -0.787746 -1.278921
C 0.720125 -0.509609 1.135034
H -5.682183 1.643243 1.258908
H -7.921045 1.863475 0.302952
H -6.743915 2.217725 -0.983962
H -5.723921 -0.739610 2.024247
H -7.308537 0.063175 2.139144
H -8.647475 0.749617 -1.794500
H -7.099124 -0.093167 -1.958267
H -6.436895 -1.906088 -0.084543
H -7.610320 -2.239786 1.205709
H -8.771184 -1.652310 -0.972249
H -9.157005 -0.484731 0.314569
H -5.022782 0.204152 -1.222359
H 6.943750 0.388459 -1.139647
H 5.028875 0.160166 1.127444
H 6.653097 -0.584236 1.081282
H 5.879268 -1.964105 -0.933988
H 4.453196 2.224153 1.066900
H 4.110974 2.499394 -0.665666
H 4.893343 3.781539 0.319495
H 7.322007 3.459669 1.148155
H 8.254625 2.023009 0.625591
H 6.934711 1.851903 1.824026
H 7.710703 2.484286 -1.849502
H 6.005915 2.711028 -2.356331
H 6.822485 3.951440 -1.348370
H -2.853290 -0.025197 -1.592069
H 3.877674 -0.453548 -1.483876
H 3.474659 -2.229477 -1.350034
H 4.294046 -2.452160 1.389537
H -0.785196 -0.514928 -2.469016
H -1.287604 -0.005389 1.816450
H 1.623768 -0.994899 -2.155966
H 1.161083 -0.509140 2.136983


