%chk=000059640.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059640

2 1
 N    3.473000     -0.1712000     -0.4747000    
 N   0.9499000       1.184400      0.2724000    
 N   -3.342300      0.5772000      9.0999998E-02
 C    2.112900     -0.6122000      -1.056600    
 C    3.213000      0.3213000      0.9650000    
 C    1.134000      0.5843000      -1.052500    
 C    2.217100       1.503400      0.9372000    
 C    1.560600      -1.807900     -0.2546000    
 C    2.696600     -0.8430000       1.834200    
 C    1.493100      -1.589900       1.257600    
 C    4.505800      -1.316500     -0.5078000    
 C    4.123600      0.9312000      -1.338000    
 C   7.4199997E-02   2.351100      0.2103000    
 C   -1.308400       1.951000     -0.3011000    
 C   -1.945400      0.9133000      0.6123000    
 C   -3.286700      4.1099999E-02  -1.344100    
 C   -4.056400     -0.4172000       1.013800    
 C   -2.663700      -1.347700      -1.407200    
 C   -3.431100      -1.804600      0.9450000    
 C   -4.150400       1.881500      8.0600001E-02
 C   -3.369600      -2.329700     -0.4826000    
 H    2.299600     -0.9248000      -2.091700    
 H    4.176400      0.6684000       1.358700    
 H    1.457700       1.336800      -1.781300    
 H   0.1894000      0.1873000      -1.435200    
 H    2.008200       1.791600       1.975800    
 H    2.687800       2.380700      0.4779000    
 H    2.168800      -2.696900     -0.4582000    
 H   0.5606000      -2.068200     -0.6208000    
 H    2.434700     -0.4667000       2.831300    
 H    3.508700      -1.557900       2.010200    
 H   0.5763000      -1.046300       1.508700    
 H    1.392800      -2.559900       1.759900    
 H    4.160100      -2.168900      7.6099999E-02
 H    4.644900      -1.619100      -1.550400    
 H    5.443600     -0.9410000     -8.6800002E-02
 H    4.282100      0.5272000      -2.342700    
 H    3.481900       1.809300      -1.395600    
 H    5.078100       1.204700     -0.8779000    
 H   0.4967000       3.132300     -0.4348000    
 H  -3.7900001E-02   2.788100       1.210900    
 H   -1.234400       1.657800      -1.347600    
 H   -1.883500       2.882800     -0.2940000    
 H   -2.055800       1.291500       1.635700    
 H   -1.369200     -1.2100000E-02  0.6465000    
 H   -2.801300      0.7521000      -2.013400    
 H   -4.331200     -2.7000001E-02  -1.677500    
 H   -5.104000     -0.4651000      0.6929000    
 H   -4.019200     -1.3100000E-02   2.031600    
 H   -1.600500      -1.303900      -1.157900    
 H   -2.722400      -1.720000      -2.436700    
 H   -4.023300      -2.494700       1.557300    
 H   -2.426200      -1.796800       1.381800    
 H   -4.021600       2.387600       1.041900    
 H   -3.840000       2.509400     -0.7582000    
 H   -5.205600       1.626200     -6.2600002E-02
 H   -4.387900      -2.508800     -0.8493000    
 H   -2.851000      -3.294800     -0.5009000    


%chk=000059640-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059640

2 1
N 3.807212 -0.067260 -0.335879
N 1.038402 1.020944 0.008844
N -3.586332 0.671625 0.141830
C 2.596759 -0.579862 -1.190235
C 3.216612 0.266870 1.077447
C 1.537628 0.543408 -1.307762
C 2.149934 1.379265 0.935890
C 2.055513 -1.902277 -0.592821
C 2.696153 -1.027192 1.751498
C 1.655338 -1.801931 0.902502
C 4.914482 -1.121455 -0.247089
C 4.467915 1.157441 -0.974085
C 0.078202 2.155221 -0.127716
C -1.334041 1.755259 -0.628151
C -2.080232 0.907556 0.419277
C -3.846129 0.026941 -1.242947
C -4.167524 -0.262669 1.244816
C -3.297092 -1.403507 -1.346537
C -3.650762 -1.707101 1.155462
C -4.342149 1.998019 0.209005
C -3.887767 -2.314047 -0.245798
H 3.006288 -0.770014 -2.200377
H 4.060395 0.676433 1.664112
H 1.931452 1.382760 -1.931995
H 0.697971 0.112226 -1.882786
H 1.727915 1.538707 1.944782
H 2.638075 2.342431 0.653785
H 2.791072 -2.710737 -0.752074
H 1.176457 -2.191185 -1.198336
H 2.243834 -0.728224 2.714619
H 3.547731 -1.675870 2.023655
H 0.685870 -1.283818 0.978289
H 1.529322 -2.818107 1.316527
H 4.547348 -2.047548 0.204239
H 5.281543 -1.328864 -1.264499
H 5.733972 -0.715176 0.366062
H 4.867310 0.866902 -1.958272
H 3.754935 1.978488 -1.100285
H 5.293281 1.488449 -0.324617
H 0.479765 2.935336 -0.818637
H -0.016364 2.635215 0.864698
H -1.255945 1.218497 -1.591049
H -1.870052 2.700671 -0.830146
H -2.043907 1.403154 1.406752
H -1.604013 -0.078796 0.518399
H -3.420170 0.703798 -2.001214
H -4.944209 0.024418 -1.365367
H -5.262902 -0.240801 1.103983
H -3.930506 0.208257 2.214748
H -2.190083 -1.403859 -1.301362
H -3.565752 -1.784929 -2.348372
H -4.194724 -2.288783 1.921970
H -2.581325 -1.768210 1.433114
H -4.143114 2.482663 1.177524
H -4.024879 2.654245 -0.614081
H -5.420330 1.798188 0.113161
H -4.974179 -2.442333 -0.418119
H -3.441004 -3.321134 -0.302483


