%chk=000057401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057401

0 1
 N  -1.5799999E-02  0.1412000      0.1309000    
 N    2.858500      1.3800000E-02  4.6599999E-02
 N   -4.169600      0.3500000      0.2386000    
 C   -1.406200      0.2031000      0.1713000    
 C   -2.148700     -0.9734000      0.3040000    
 C   0.7787000      0.2309000       1.355900    
 C   0.6949000     -1.2300000E-02  -1.138300    
 C   -1.449300      -2.300700      0.4085000    
 C    2.114700     -0.5002000       1.196400    
 C    2.097300      0.5970000      -1.058100    
 C   -3.534900     -0.8484000      0.3366000    
 C   -1.771200      -3.239800     -0.7541000    
 C   -4.433300      -2.047200      0.4849000    
 C   -3.122400      -3.942500     -0.6287000    
 C   -4.336900      -3.017000     -0.6916000    
 C   -2.040000       1.447500      6.9700003E-02
 C   -3.444400       1.474800      0.1076000    
 C    4.248900     -4.9699999E-02  5.2000000E-03
 C   -1.309800       2.640900     -6.7299999E-02
 C   -4.080400       2.709200      6.0999999E-03
 C    4.958900      -1.083200      0.6604000    
 C    5.009400      0.9171000     -0.6937000    
 C   -1.968900       3.862600     -0.1669000    
 C   -3.357100       3.896500     -0.1301000    
 C    6.351700      -1.146200      0.6194000    
 C    6.402400      0.8539000     -0.7347000    
 C    7.073500     -0.1778000     -7.8199998E-02
 H   0.2350000     -0.2087000       2.200900    
 H   0.9571000       1.285900       1.596300    
 H   0.1441000      0.4766000      -1.951000    
 H   0.7647000      -1.077900      -1.388000    
 H  -0.3625000      -2.200300      0.4540000    
 H   -1.721300      -2.767800       1.364000    
 H    2.684100     -0.3621000       2.123800    
 H    1.943200      -1.575400       1.064800    
 H    2.597000      0.4141000      -2.017400    
 H    2.028100       1.682400     -0.9163000    
 H   -1.710900      -2.706600      -1.711000    
 H   -1.000200      -4.020500     -0.7826000    
 H   -4.224100      -2.552900       1.435000    
 H   -5.471000      -1.695200      0.5513000    
 H   -3.205500      -4.669800      -1.446000    
 H   -3.150100      -4.522600      0.3022000    
 H   -5.232300      -3.651400     -0.6823000    
 H   -4.346600      -2.474100      -1.644900    
 H  -0.2243000       2.656100     -0.1030000    
 H   -5.167300       2.761400      3.2499999E-02
 H    4.428300      -1.862500       1.202800    
 H    4.520400       1.742700      -1.205800    
 H   -1.402300       4.782500     -0.2734000    
 H   -3.881100       4.844700     -0.2072000    
 H    6.874500      -1.950900       1.128100    
 H    6.964900       1.609500      -1.275400    
 H    8.158000     -0.2269000     -0.1102000    


%chk=000057401-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057401

0 1
N 0.076608 -0.051996 0.023012
N 2.989267 0.015786 0.034006
N -4.197787 0.378888 0.204298
C -1.342797 0.087359 0.074940
C -2.178346 -1.031919 0.303834
C 0.848104 -0.348542 1.243922
C 0.846658 0.266741 -1.194047
C -1.606737 -2.439328 0.367532
C 2.235889 -0.919125 0.891058
C 2.210995 0.900626 -0.854161
C -3.607485 -0.819958 0.403435
C -2.133927 -3.400286 -0.742029
C -4.555818 -1.963849 0.725240
C -3.519566 -4.029776 -0.469718
C -4.693223 -3.027383 -0.400307
C -1.950592 1.393846 -0.093634
C -3.393589 1.477719 -0.063915
C 4.392435 0.059913 0.055557
C -1.198707 2.602940 -0.249307
C -4.032028 2.742342 -0.267448
C 5.158010 -0.970796 0.687445
C 5.105990 1.139558 -0.555380
C -1.843927 3.829811 -0.431192
C -3.272268 3.899305 -0.458840
C 6.566116 -0.912492 0.708530
C 6.514671 1.177152 -0.532517
C 7.262796 0.157094 0.099689
H 0.308505 -1.087261 1.866792
H 0.983302 0.563161 1.870199
H 0.271258 0.962928 -1.830576
H 1.027499 -0.649143 -1.800852
H -0.510974 -2.365819 0.256264
H -1.804876 -2.901059 1.357877
H 2.790457 -1.071470 1.835779
H 2.117178 -1.915652 0.408949
H 2.766796 1.048549 -1.799966
H 2.059441 1.905531 -0.398360
H -2.148859 -2.859199 -1.709213
H -1.398300 -4.222191 -0.851901
H -4.234541 -2.474873 1.656778
H -5.540066 -1.504335 0.918202
H -3.731704 -4.779634 -1.258346
H -3.472295 -4.589832 0.488490
H -5.629022 -3.594288 -0.226577
H -4.813220 -2.511548 -1.373409
H -0.105727 2.561799 -0.198189
H -5.126179 2.762384 -0.250773
H 4.658290 -1.834646 1.136500
H 4.562386 1.966076 -1.023202
H -1.254954 4.747292 -0.541425
H -3.766757 4.865183 -0.610199
H 7.123651 -1.720734 1.196735
H 7.031087 2.021289 -1.004924
H 8.356785 0.194260 0.116940


