%chk=000178508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178508

0 1
 N    1.601500      0.4365000     -0.1041000    
 N    2.297900      0.5722000      -2.198600    
 N    4.674900      0.4308000      -1.708400    
 N    5.181600      0.2211000      0.6687000    
 N    3.474800      0.1622000       2.342100    
 C  -0.7640000      0.4876000      0.5351000    
 C   -1.553100     -0.6410000      0.1953000    
 C   -2.877200     -0.3832000     -0.2370000    
 C   -1.244200       1.808900      0.4571000    
 C   0.6568000      0.3889000       1.011700    
 C   -3.361600      0.9341000     -0.3168000    
 C   -2.563400       2.034200      2.4300000E-02
 C   -1.089500      -2.003600      0.2651000    
 C   -1.970200      -3.054700     -0.1008000    
 C   -3.715000      -1.444900     -0.5892000    
 C  -0.4386000       2.908400      0.8007000    
 C   -3.268700      -2.760400     -0.5222000    
 C   -3.049100       3.350700     -5.5900000E-02
 C   -4.774000       1.181500     -0.7800000    
 C    2.952300      0.3723000     -2.7600000E-02
 C   0.2117000      -2.382300      0.6819000    
 C   -1.549400      -4.394400     -4.4000000E-02
 C  -0.9328000       4.210400      0.7166000    
 C    1.244600      0.5551000      -1.410100    
 C   -2.237500       4.431400      0.2885000    
 C    3.368800      0.4589000      -1.349200    
 C   0.6179000      -3.718600      0.7339000    
 C  -0.2631000      -4.725100      0.3707000    
 C    3.870300      0.2516000      0.9970000    
 C    5.498500      0.3112000     -0.6449000    
 H   0.9445000       1.208100       1.672000    
 H   0.8193000     -0.3864000       1.752900    
 H   -4.727200      -1.317200     -0.9581000    
 H   0.6040000       2.874500       1.089000    
 H   -3.952100      -3.556600     -0.8122000    
 H   -4.039600       3.610800     -0.4102000    
 H   -5.223800       2.100700     -0.4019000    
 H   -4.817500       1.191800      -1.873700    
 H   -5.472400      0.4322000     -0.3945000    
 H    1.076700      -1.775500      0.8240000    
 H   -2.225600      -5.199200     -0.3270000    
 H  -0.2957000       5.052800      0.9708000    
 H   0.2315000      0.6260000      -1.780600    
 H   -2.619900       5.445100      0.2127000    
 H    1.635400      -3.969100       1.021900    
 H   5.0400000E-02  -5.764100      0.4007000    
 H    6.558600      0.2834000     -0.8728000    
 H    2.515900      0.2091000       2.640600    
 H    4.199200      7.6399997E-02   3.043400    


%chk=000178508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178508

0 1
N 1.760940 0.519719 -0.053883
N 2.853575 0.951208 -2.032323
N 5.166732 0.722037 -1.163494
N 5.299078 0.176962 1.228597
N 3.453492 -0.123640 2.635250
C -0.756251 0.490673 0.327140
C -1.602114 -0.629166 0.075178
C -3.035930 -0.383357 -0.078748
C -1.268652 1.830017 0.202448
C 0.642920 0.333132 0.910696
C -3.561359 0.936153 -0.190301
C -2.673756 2.059267 -0.106609
C -1.127753 -2.031145 -0.002070
C -2.085343 -3.107239 0.088519
C -3.946714 -1.515154 -0.045786
C -0.407243 2.975324 0.359660
C -3.499962 -2.807406 0.100766
C -3.122773 3.420160 -0.262184
C -5.061180 1.122081 -0.370389
C 3.139324 0.434668 0.223697
C 0.234039 -2.401331 -0.241639
C -1.650283 -4.465173 0.083594
C -0.882468 4.275367 0.208480
C 1.665009 0.832357 -1.417276
C -2.257977 4.500670 -0.110629
C 3.802520 0.707296 -1.020986
C 0.644359 -3.745507 -0.267179
C -0.295563 -4.790340 -0.068868
C 3.937250 0.160161 1.371896
C 5.828469 0.453073 -0.008708
H 0.768368 1.081916 1.716289
H 0.737025 -0.669673 1.362703
H -5.021146 -1.327396 -0.105494
H 0.658198 2.830923 0.561275
H -4.210108 -3.639559 0.170878
H -4.167765 3.621682 -0.509227
H -5.343396 2.169554 -0.539024
H -5.438468 0.541349 -1.231607
H -5.615570 0.779978 0.524363
H 0.979424 -1.642446 -0.485005
H -2.403101 -5.257402 0.172204
H -0.200062 5.125020 0.316172
H 0.699384 0.960072 -1.900700
H -2.627611 5.523291 -0.240815
H 1.695112 -3.982515 -0.465177
H 0.029467 -5.836025 -0.076718
H 6.921506 0.452844 -0.059976
H 2.463774 -0.186562 2.850081
H 4.144484 -0.303315 3.361831


