%chk=000128088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128088

0 1
 O    1.934400       2.443800      0.9623000    
 N   -1.449200      -1.363600      -1.009800    
 C  -0.6142000      0.5619000      0.1718000    
 C  -0.5061000     -0.2120000      -1.185700    
 C    1.157700      -1.054400      0.2990000    
 C   -1.681600     -0.2995000      0.9010000    
 C   0.7484000      0.3305000      0.8700000    
 C   0.9282000     -0.7822000      -1.211000    
 C   -1.286700      -1.702400      0.4330000    
 C   -3.070500     -0.1129000      0.2533000    
 C   0.1541000      -2.113900      0.7801000    
 C   -2.848000     -0.8506000      -1.085700    
 C   -1.024200       2.028300      4.7400001E-02
 C    1.960900      0.2428000      -1.739000    
 C    2.618300      -1.418800      0.6053000    
 C    2.796900      0.8096000     -0.5879000    
 C    1.835000       1.326300      0.4634000    
 C   -3.452100       1.368400      9.2399999E-02
 C   -2.392400       2.218000     -0.5911000    
 C    3.521300     -0.3065000      0.1237000    
 C   -4.175400     -0.8000000       1.079400    
 C    4.845300     -0.3129000      0.3279000    
 H  -0.7308000      0.3664000      -2.087100    
 H   -1.683300     -0.1655000       1.987400    
 H   0.6829000      0.3215000       1.964000    
 H   0.9857000      -1.694700      -1.817900    
 H   -1.973500      -2.496300      0.7439000    
 H   0.2406000      -2.246200       1.865400    
 H   0.3803000      -3.080700      0.3131000    
 H   -3.525300      -1.707000      -1.190100    
 H   -3.000300     -0.2255000      -1.972100    
 H  -0.2947000       2.584100     -0.5528000    
 H   -1.031500       2.486100       1.044900    
 H    1.463500       1.052800      -2.285700    
 H    2.623900     -0.2560000      -2.457800    
 H    2.883100      -2.354800      9.8999999E-02
 H    2.749300      -1.562900       1.684600    
 H    3.460700       1.609600     -0.9287000    
 H   -3.643700       1.798600       1.084800    
 H   -4.391300       1.454900     -0.4684000    
 H   -2.678500       3.274900     -0.5316000    
 H   -2.347400       1.978400      -1.659000    
 H   -5.149400     -0.6914000      0.5887000    
 H   -4.000200      -1.871500       1.213900    
 H   -4.251200     -0.3534000       2.077200    
 H    5.472700      0.4997000     -2.1900000E-02
 H    5.326600      -1.133200      0.8497000    


%chk=000128088-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128088

0 1
O 1.928592 2.483681 1.065430
N -1.462249 -1.413723 -1.063661
C -0.630117 0.580594 0.173523
C -0.508868 -0.242336 -1.204225
C 1.173572 -1.069862 0.290447
C -1.696121 -0.291314 0.927894
C 0.764038 0.321523 0.877008
C 0.940501 -0.780856 -1.229546
C -1.286149 -1.714856 0.420352
C -3.108121 -0.103308 0.278254
C 0.156659 -2.137564 0.754910
C -2.876772 -0.881736 -1.090432
C -1.027131 2.062030 0.027818
C 1.987599 0.262410 -1.734612
C 2.639138 -1.441696 0.595565
C 2.817738 0.832507 -0.539734
C 1.837786 1.352961 0.520796
C -3.484765 1.392080 0.092884
C -2.410836 2.222065 -0.639315
C 3.572969 -0.319146 0.129346
C -4.212560 -0.783897 1.123375
C 4.917571 -0.318505 0.300274
H -0.765605 0.342714 -2.103391
H -1.692721 -0.134137 2.019897
H 0.636305 0.321109 1.976564
H 0.979430 -1.704781 -1.832535
H -1.997153 -2.504243 0.719333
H 0.244277 -2.299801 1.848089
H 0.374774 -3.103448 0.258910
H -3.566743 -1.741137 -1.170873
H -3.017527 -0.244392 -1.980822
H -0.263333 2.608092 -0.557620
H -1.036998 2.540771 1.027935
H 1.488035 1.091955 -2.271370
H 2.688279 -0.208402 -2.447266
H 2.892616 -2.393073 0.085966
H 2.770627 -1.623598 1.681218
H 3.503186 1.636885 -0.853748
H -3.655154 1.835790 1.096555
H -4.452131 1.458270 -0.445667
H -2.701828 3.289859 -0.645136
H -2.353447 1.912154 -1.702048
H -5.183662 -0.748124 0.592916
H -3.987710 -1.846248 1.328354
H -4.343009 -0.270648 2.095037
H 5.539895 0.518944 -0.033982
H 5.435424 -1.157762 0.780633


