%chk=000178974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178974

0 1
 O  -0.3048000      -1.217200     -0.2964000    
 O   -4.914800       1.660400      -1.063800    
 O   -7.215700      0.7322000     -8.5299999E-02
 N    6.726400      0.9197000      0.8090000    
 N    4.964000       1.356000     -0.5443000    
 N    6.174700       2.126100       1.002400    
 N    5.127600       2.427400      0.2221000    
 C   -2.959700      0.6167000     -0.1721000    
 C   -2.107100       1.690100     -0.7702000    
 C   -2.374000     -0.4163000      0.5598000    
 C   -1.910200       2.871500      0.1874000    
 C   -4.343000      0.6496000     -0.3479000    
 C  -0.8953000     -0.4748000      0.7624000    
 C   -5.140700     -0.3505000      0.2082000    
 C   -3.171800      -1.416300       1.115900    
 C   -4.555100      -1.383400      0.9401000    
 C    5.284500      -1.952600     -8.0100000E-02
 C   -1.015700       3.943600     -0.4143000    
 C    3.807300      -1.758400     -0.1370000    
 C    1.052800      -1.396900     -0.2429000    
 C    6.094500     -0.8453000     -0.7850000    
 C   -6.587200     -0.3367000      3.8100000E-02
 C    3.073900      -2.293500      -1.195900    
 C    3.158700      -1.041800      0.8687000    
 C    1.691900      -2.112200      -1.249100    
 C    1.776800     -0.8604000      0.8155000    
 C    5.929800      0.5078000     -0.1537000    
 C   -7.367900      -1.644900      8.2000000E-03
 H   -1.139700       1.295600      -1.101900    
 H   -2.564700       2.054400      -1.699800    
 H   -2.882300       3.317300      0.4323000    
 H   -1.475800       2.537300       1.136300    
 H  -0.7138000     -0.9810000       1.721300    
 H  -0.4687000      0.5300000      0.8399000    
 H   -2.730100      -2.227800       1.688500    
 H   -5.150700      -2.169000       1.396800    
 H    5.542100      -2.918300     -0.5346000    
 H    5.603600      -2.032200      0.9680000    
 H  -2.0500001E-02   3.544200     -0.6342000    
 H   -1.443000       4.334800      -1.343000    
 H  -0.9003000       4.777800      0.2847000    
 H    7.156400      -1.121000     -0.7741000    
 H    5.797700     -0.7809000      -1.839400    
 H    3.567600      -2.851800      -1.987000    
 H    3.716900     -0.6238000       1.702500    
 H    1.124300      -2.529600      -2.075900    
 H    1.344000     -0.2951000       1.632800    
 H   -5.862400       1.500300      -1.194500    
 H   -8.264200      -1.510800     -0.6050000    
 H   -6.774900      -2.441600     -0.4491000    
 H   -7.659700      -1.921300       1.024200    
 H    6.528800       2.773200       1.698600    


%chk=000178974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178974

0 1
O -0.281037 -1.226971 -0.202862
O -4.796861 1.554958 -1.243546
O -7.115009 0.616598 -0.972302
N 6.137370 0.756841 1.092603
N 6.098132 1.798834 -0.955069
N 6.106795 2.123202 1.187806
N 6.081880 2.790273 -0.028791
C -2.936097 0.471122 -0.180155
C -2.036188 1.540832 -0.770032
C -2.458761 -0.577437 0.643188
C -1.998711 2.836088 0.092798
C -4.338579 0.529170 -0.448745
C -0.986885 -0.683848 0.981979
C -5.250252 -0.450077 0.090850
C -3.352299 -1.549956 1.182360
C -4.722634 -1.490050 0.910624
C 5.458167 -1.889543 -0.182308
C -1.094179 3.918464 -0.532353
C 3.945985 -1.717318 -0.143436
C 1.117971 -1.361101 -0.107303
C 6.192952 -0.753041 -0.952012
C -6.683463 -0.345938 -0.222418
C 3.153240 -2.021750 -1.284279
C 3.286505 -1.236671 1.011860
C 1.757870 -1.849208 -1.274299
C 1.883644 -1.055170 1.043676
C 6.133691 0.580167 -0.266764
C -7.681302 -1.352411 0.316362
H -1.011801 1.150371 -0.903028
H -2.415411 1.812764 -1.771895
H -3.030004 3.222088 0.197950
H -1.642460 2.592758 1.114747
H -0.835953 -1.366110 1.841991
H -0.557078 0.306006 1.235279
H -2.950484 -2.355002 1.806955
H -5.395737 -2.245237 1.328739
H 5.714109 -2.844198 -0.680605
H 5.862553 -1.941673 0.844397
H -0.053583 3.558190 -0.640068
H -1.457248 4.200446 -1.538183
H -1.074353 4.832940 0.088411
H 7.255712 -1.037668 -1.086382
H 5.767675 -0.631155 -1.963877
H 3.635849 -2.405772 -2.192028
H 3.878429 -0.995057 1.902345
H 1.144356 -2.086098 -2.148993
H 1.412188 -0.685504 1.959045
H -5.825703 1.430235 -1.332645
H -8.686487 -1.083662 -0.040785
H -7.437162 -2.375175 -0.024566
H -7.680208 -1.362719 1.421688
H 6.091359 2.613772 2.081277


