%chk=000147934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147934

0 1
 N    2.858300      -2.058300      0.1639000    
 N    2.006700       2.395800     -0.6533000    
 N    1.425000      -3.024900      -2.080600    
 N   0.4246000      0.9792000      -2.528500    
 N   -3.463200      -1.980400       1.498000    
 N   -4.149900       2.448500       1.306600    
 N   -3.435700      -2.820900     -0.6823000    
 N   -4.282000       1.228900     -0.6824000    
 C    4.248400      0.5656000      2.5300000E-02
 C    3.668700     -5.2800000E-02   1.302000    
 C    4.303400       2.093600      0.1266000    
 C    3.658200      -1.578700       1.264900    
 C    2.936700       2.714700      0.4029000    
 C    1.474800      -2.140100      0.1955000    
 C   0.6402000       2.263000     -0.4618000    
 C   0.7591000      -2.613200     -0.9043000    
 C  -0.1484000       1.568800      -1.379300    
 C   0.7986000      -1.740700       1.348300    
 C   5.5500001E-02   2.836000      0.6676000    
 C  -0.6329000      -2.687100     -0.8511000    
 C   -1.521800       1.447400      -1.167300    
 C   -1.309100      -2.287500      0.3016000    
 C   -2.106500       2.020400     -3.7999999E-02
 C  -0.5934000      -1.814300       1.401300    
 C   -1.317900       2.714800      0.8795000    
 C   -2.760000      -2.368300      0.3591000    
 C   -3.537600       1.890600      0.1857000    
 H    5.265000      0.1877000     -0.1377000    
 H    3.659200      0.2710000     -0.8503000    
 H    4.268400      0.2688000       2.162300    
 H    2.651900      0.3071000       1.473700    
 H    4.997700       2.384400      0.9240000    
 H    4.710900       2.493200     -0.8103000    
 H    3.349500      -2.006000       2.225500    
 H    4.686600      -1.929400       1.112500    
 H    3.050500       3.804300      0.4517000    
 H    2.587300       2.397900       1.390400    
 H    3.344900      -2.316800     -0.6846000    
 H    2.383500       2.190000      -1.570300    
 H    1.299500      -1.372700       2.237100    
 H   0.6284000       3.405100       1.393900    
 H   -1.172800      -3.058800      -1.718800    
 H   -2.119000      0.8997000      -1.892600    
 H   -1.069300      -1.492100       2.320900    
 H   -1.721900       3.182800       1.770400    
 H    2.430400      -2.987600      -2.157200    
 H   0.8838000      -3.360700      -2.866900    
 H    1.424000      0.9830000      -2.671900    
 H  -0.1641000      0.4657000      -3.171400    
 H   -4.475700      -2.044600       1.519000    
 H   -3.025500      -1.620500       2.336800    
 H   -5.149700       2.345200       1.446200    
 H   -3.654900       2.967700       2.020900    
 H   -4.435000      -2.803200     -0.4502000    
 H   -5.253400       1.245700     -0.3525000    


%chk=000147934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147934

0 1
N 2.823635 -2.127858 0.646103
N 1.905944 2.332383 -0.901252
N 2.053902 -3.697143 -1.460315
N 0.064596 0.571237 -1.992587
N -3.695074 -1.696793 -0.216687
N -3.951612 3.099221 1.909344
N -3.010737 -3.463460 -1.713778
N -3.949015 0.785338 1.237877
C 4.153217 0.528033 -0.066228
C 3.482761 0.255646 1.299181
C 4.341883 2.028544 -0.408395
C 3.437387 -1.258313 1.657697
C 3.071057 2.895903 -0.216660
C 1.444146 -2.196789 0.383668
C 0.601777 2.349721 -0.390033
C 1.031638 -3.018275 -0.724874
C -0.353979 1.427311 -0.948614
C 0.440411 -1.545874 1.146378
C 0.197926 3.182971 0.685341
C -0.325373 -3.096869 -1.074492
C -1.660012 1.384859 -0.428773
C -1.324673 -2.401047 -0.339136
C -2.047320 2.195658 0.668547
C -0.925296 -1.649354 0.793484
C -1.106116 3.101515 1.220017
C -2.748298 -2.541309 -0.790652
C -3.386675 1.986943 1.284351
H 5.147378 0.034296 -0.099655
H 3.540092 0.049621 -0.855132
H 4.032132 0.782390 2.107581
H 2.453519 0.658367 1.287782
H 5.136365 2.465355 0.230082
H 4.700552 2.118639 -1.454664
H 2.901897 -1.394943 2.616387
H 4.471880 -1.621450 1.817300
H 3.289378 3.937550 -0.542311
H 2.832688 2.945292 0.860844
H 3.407467 -2.372219 -0.159766
H 2.018416 2.030346 -1.871383
H 0.720525 -0.928573 2.006058
H 0.905663 3.902948 1.108877
H -0.667850 -3.724526 -1.905867
H -2.378392 0.664264 -0.832665
H -1.667006 -1.128089 1.407719
H -1.358058 3.703418 2.100705
H 2.694942 -4.272696 -0.904271
H 1.739635 -4.157463 -2.316879
H 0.990210 0.146990 -1.870407
H -0.632578 -0.106114 -2.311057
H -4.664632 -1.822802 -0.509240
H -3.522466 -0.857997 0.379522
H -4.816017 3.018866 2.440858
H -3.549661 4.024204 1.775442
H -4.016814 -3.478110 -1.983807
H -4.895364 0.757237 1.668930


