%chk=000146321.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146321

0 1
 O   3.0000000E-03  -1.088400      0.9074000    
 O  -0.5524000     -0.6496000      -1.324800    
 N   -4.182400      0.5501000     -0.1676000    
 N   -5.977300       1.044700       1.150400    
 N   -6.074600       1.488000      -1.157600    
 C   -2.200600      -1.512800      0.2097000    
 C   -3.163900      -1.520500     -0.9814000    
 C   -2.735900     -0.6746000       1.374700    
 C   -3.666500     -0.1251000      -1.354100    
 C   -3.233200      0.7008000      0.9310000    
 C  -0.8393000      -1.029000     -0.1972000    
 C    5.242300      0.6604000     -0.2424000    
 C   -5.438600       1.047600     -0.1094000    
 C    3.857700      0.1981000      6.1900001E-02
 C    5.618300      0.3801000      -1.730600    
 C    6.292200     -6.8300001E-02  0.6529000    
 C    5.502500       2.188600     -2.8300000E-02
 C    1.299900     -0.6547000      0.6224000    
 C    3.520900      -1.146400     -9.4800003E-02
 C    2.899100       1.110600      0.5025000    
 C    2.225200      -1.578200      0.1890000    
 C    1.603500      0.6786000      0.7864000    
 H   -2.067900      -2.551700      0.5396000    
 H   -4.031900      -2.137700     -0.7129000    
 H   -2.706100      -1.993200      -1.858500    
 H   -1.994200     -0.5514000       2.171500    
 H   -3.579000      -1.216800       1.823800    
 H   -2.863800      0.4776000      -1.793500    
 H   -4.437400     -0.2300000      -2.126600    
 H   -3.631900       1.249500       1.790800    
 H   -2.384100       1.300000      0.5776000    
 H    4.915100      0.8765000      -2.409700    
 H    5.601400     -0.6905000      -1.962200    
 H    6.625400      0.7452000      -1.963000    
 H    6.293200      -1.150700      0.4838000    
 H    7.307600      0.2914000      0.4501000    
 H    6.081200      0.1002000       1.715600    
 H    5.334400       2.482500       1.014300    
 H    4.858800       2.799800     -0.6718000    
 H    6.539400       2.450600     -0.2716000    
 H    4.247200      -1.878200     -0.4364000    
 H    3.106300       2.165900      0.6415000    
 H    1.962900      -2.624500      6.8000004E-02
 H   0.8567000       1.387600       1.129900    
 H   -6.908500       1.413000       1.313800    
 H   -5.561300      0.5288000       1.917500    
 H   -7.003100       1.811900     -0.8654000    


%chk=000146321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146321

0 1
O -0.095440 -0.832875 0.783707
O -0.662668 -1.561085 -1.373766
N -4.356393 0.238957 -0.058567
N -5.861463 1.846101 0.810979
N -5.836955 1.302025 -1.560899
C -2.301504 -1.790402 0.477899
C -3.404189 -1.993348 -0.592849
C -2.786340 -0.793554 1.566836
C -3.917469 -0.651058 -1.157061
C -3.291263 0.517959 0.930769
C -0.974958 -1.389742 -0.179167
C 5.405588 0.783578 -0.227689
C -5.388251 1.155552 -0.326698
C 3.936695 0.370915 0.028749
C 5.647920 0.905970 -1.762710
C 6.356063 -0.304146 0.358809
C 5.759118 2.142805 0.428546
C 1.247102 -0.454606 0.450086
C 3.437535 -0.844229 -0.516937
C 3.040499 1.154920 0.799635
C 2.108331 -1.267475 -0.317410
C 1.703857 0.750590 1.013020
H -2.088818 -2.762654 0.971934
H -4.247275 -2.536436 -0.125833
H -3.015899 -2.607553 -1.424411
H -1.971752 -0.578431 2.278436
H -3.618122 -1.269585 2.120264
H -3.120240 -0.159652 -1.755876
H -4.773800 -0.796985 -1.832954
H -3.666678 1.203661 1.706676
H -2.438471 1.035252 0.430788
H 4.991144 1.677401 -2.204530
H 5.449442 -0.046214 -2.286221
H 6.698848 1.189422 -1.960724
H 6.177170 -1.292845 -0.100216
H 7.411501 -0.029344 0.172858
H 6.211053 -0.406183 1.449969
H 5.644457 2.110388 1.527955
H 5.131064 2.963551 0.035227
H 6.813069 2.395224 0.210719
H 4.096791 -1.481902 -1.116879
H 3.375721 2.096154 1.244138
H 1.748543 -2.198810 -0.760088
H 1.016537 1.357684 1.610576
H -6.502871 2.622151 0.673704
H -5.818457 1.422538 1.735717
H -6.708474 1.862117 -1.610205


