%chk=000041108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041108

0 1
 O    4.355900      -1.912600     -0.7228000    
 N   0.7516000      -1.152600     -0.2170000    
 N   -5.296900      0.8679000     -0.1535000    
 C    2.018600      -1.870200     -2.8500000E-02
 C    3.127300      -1.194600     -0.8667000    
 C  -0.3181000      -1.807300      0.5159000    
 C    2.337300      -1.880400       1.467800    
 C    3.408000      0.2370000     -0.4628000    
 C   -1.634800      -1.099100      0.3383000    
 C    2.702200       1.260700      -1.070500    
 C    4.363900      0.4904000      0.5053000    
 C   -2.471900      -1.465100     -0.7061000    
 C   -1.993000     -9.0999998E-02   1.222400    
 C   -4.063100      0.2050000      1.2400000E-02
 C   -3.692300     -0.8097000     -0.8700000    
 C   -3.213300      0.5645000       1.058700    
 C    2.960700       2.579900     -0.6982000    
 C    4.622200       1.809700      0.8776000    
 C    3.920500       2.854400      0.2757000    
 C   -5.877300       1.019200      -1.472900    
 C   -6.007500       1.394100      0.9950000    
 H    1.926800      -2.909900     -0.3697000    
 H    2.872500      -1.229100      -1.933800    
 H   0.5250000      -1.133400      -1.211500    
 H  -0.1362000      -1.836500       1.595400    
 H  -0.4276000      -2.851700      0.1944000    
 H    3.377900      -2.174700       1.644700    
 H    2.184600     -0.9047000       1.943000    
 H    1.738100      -2.621500       2.008000    
 H    1.956500       1.059400      -1.834000    
 H    4.920600     -0.3003000      0.9985000    
 H   -2.192900      -2.254800      -1.398100    
 H   -1.336600      0.2003000       2.037700    
 H    4.191500      -2.830300     -0.9992000    
 H   -4.335600      -1.121600      -1.687900    
 H   -3.466500       1.358600       1.755300    
 H    2.415200       3.393400      -1.167500    
 H    5.368100       2.023900       1.637500    
 H    4.121400       3.881500      0.5657000    
 H   -5.118500       1.286300      -2.217100    
 H   -6.625500       1.819800      -1.485600    
 H   -6.377200      9.6299998E-02  -1.785100    
 H   -5.579500       2.351100       1.311100    
 H   -5.982300      0.6938000       1.837700    
 H   -7.064000       1.567200      0.7610000    


%chk=000041108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041108

0 1
O 4.229309 -1.647853 -1.313051
N 0.695183 -1.119047 -0.207546
N -5.509898 0.784766 -0.370276
C 2.038616 -1.739663 -0.150873
C 3.043563 -0.848626 -0.962022
C -0.410503 -1.873397 0.441448
C 2.510807 -1.976753 1.295195
C 3.533548 0.399741 -0.233459
C -1.745064 -1.181201 0.214058
C 2.622964 1.439685 0.086695
C 4.895411 0.540674 0.128732
C -2.839084 -1.853234 -0.380924
C -1.938446 0.168795 0.605275
C -4.279475 0.141495 -0.181288
C -4.082636 -1.218702 -0.578082
C -3.169097 0.822462 0.416565
C 3.068957 2.597983 0.761381
C 5.340150 1.701617 0.802266
C 4.430287 2.735150 1.121553
C -6.629494 0.059424 -0.979032
C -5.683633 2.177643 0.055622
H 2.036840 -2.739678 -0.673434
H 2.520820 -0.540132 -1.898718
H 0.434013 -0.878231 -1.175983
H -0.189397 -1.926832 1.524585
H -0.475614 -2.929356 0.076763
H 3.579260 -2.256539 1.292500
H 2.390985 -1.057320 1.893061
H 1.946401 -2.793049 1.779561
H 1.564641 1.321512 -0.167823
H 5.593963 -0.257916 -0.134012
H -2.721708 -2.898014 -0.697276
H -1.101494 0.711693 1.060298
H 3.924920 -2.488763 -1.738621
H -4.896852 -1.783207 -1.041267
H -3.268913 1.863352 0.737660
H 2.354679 3.393382 1.004393
H 6.397814 1.799453 1.073806
H 4.776521 3.636224 1.641058
H -6.385873 -0.292043 -2.003130
H -7.503608 0.726072 -1.050518
H -6.925495 -0.826385 -0.378997
H -4.982446 2.860845 -0.466822
H -5.525879 2.300865 1.147248
H -6.709246 2.506410 -0.175970


