%chk=000163704.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163704

0 1
 N    4.096700      -1.010700      0.6407000    
 N   -1.885300     -0.3155000      0.8423000    
 C    2.734900     -0.5190000      0.9176000    
 C    2.587600      0.9075000      0.2310000    
 C    1.593300      -1.552600      0.5711000    
 C    1.166600       1.422700      0.3497000    
 C   0.2534000     -0.9072000      0.6655000    
 C   0.1412000      0.4912000      0.5418000    
 C    3.066700      0.8881000      -1.199800    
 C    4.348200      -1.213000     -0.7940000    
 C   -1.186500      0.8574000      0.6549000    
 C    3.859100     -8.7200001E-02  -1.677100    
 C   -1.020500      -1.391600      0.8497000    
 C   0.7871000       2.767800      0.2628000    
 C    4.456000      -2.194300       1.414900    
 C   -3.318700     -0.4202000       1.009200    
 C   -1.580200       2.193600      0.5738000    
 C  -0.5610000       3.140600      0.3741000    
 C    4.308400     -0.1205000      -3.107500    
 C   -4.084400     -0.5963000     -0.3048000    
 C   -5.599500     -0.6965000     -0.1072000    
 C   -6.327800     -0.7909000      -1.448400    
 C   -7.835200     -0.8536000      -1.260100    
 H    2.659600     -0.3285000       1.999700    
 H    3.232700       1.607900      0.7812000    
 H    1.639100      -2.403500       1.260400    
 H    1.710900      -1.943000     -0.4458000    
 H    2.760400       1.700100      -1.854600    
 H    3.894700      -2.149000      -1.145100    
 H    5.432400      -1.308800     -0.9346000    
 H   -1.389100      -2.400000      0.9819000    
 H    1.539900       3.536600      0.1078000    
 H    5.520200      -2.422300       1.287100    
 H    3.884300      -3.081100       1.121300    
 H    4.300500      -2.020100       2.485100    
 H   -3.663600      0.4733000       1.541800    
 H   -3.508100      -1.273300       1.672000    
 H   -2.617100       2.498300      0.6564000    
 H  -0.8261000       4.193300      0.3034000    
 H    5.400500     -7.0100002E-02  -3.164300    
 H    3.905000      0.7168000      -3.686500    
 H    3.977300      -1.047400      -3.586800    
 H   -3.723900      -1.495800     -0.8200000    
 H   -3.859300      0.2494000     -0.9674000    
 H   -5.832400      -1.575200      0.5061000    
 H   -5.954100      0.1846000      0.4412000    
 H   -6.080800      7.8199998E-02  -2.069100    
 H   -5.994000      -1.682900      -1.991000    
 H   -8.335900     -0.9222000      -2.231000    
 H   -8.120400      -1.729100     -0.6680000    
 H   -8.204600      4.1800000E-02 -0.7499000    


%chk=000163704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163704

0 1
N 4.143427 -0.972584 0.660147
N -1.929548 -0.389611 0.865155
C 2.749809 -0.519079 0.889309
C 2.590499 0.880369 0.201219
C 1.655719 -1.570640 0.456909
C 1.164601 1.414622 0.322624
C 0.281345 -0.968026 0.608157
C 0.143662 0.458851 0.506114
C 3.060344 0.799436 -1.250433
C 4.493658 -1.198647 -0.756079
C -1.231436 0.810646 0.658538
C 3.931078 -0.144320 -1.695350
C -1.002800 -1.463322 0.827744
C 0.770791 2.766545 0.277119
C 4.606497 -2.054523 1.541027
C -3.384439 -0.521421 1.018599
C -1.629947 2.168023 0.603917
C -0.607935 3.126639 0.410360
C 4.391973 -0.231495 -3.136430
C -4.152250 -0.539264 -0.325385
C -5.678275 -0.662477 -0.121562
C -6.467923 -0.667537 -1.450694
C -7.993038 -0.788474 -1.243509
H 2.634871 -0.361280 1.980613
H 3.274127 1.568840 0.741237
H 1.774343 -2.490531 1.060069
H 1.833084 -1.849146 -0.601725
H 2.663609 1.552796 -1.944403
H 4.161232 -2.209673 -1.122802
H 5.601730 -1.206451 -0.839096
H -1.352309 -2.485614 0.968609
H 1.519876 3.557447 0.148488
H 5.704124 -2.161099 1.449913
H 4.154518 -3.054471 1.319407
H 4.376238 -1.801512 2.591613
H -3.749883 0.316063 1.644767
H -3.590284 -1.453752 1.577846
H -2.674229 2.481686 0.709378
H -0.881664 4.187544 0.369070
H 5.489181 -0.096414 -3.217863
H 3.906639 0.537450 -3.761673
H 4.160288 -1.223349 -3.574319
H -3.783301 -1.383159 -0.941132
H -3.922131 0.386825 -0.887848
H -5.905364 -1.593330 0.440058
H -6.037438 0.177141 0.510514
H -6.242001 0.262325 -2.011162
H -6.111052 -1.505425 -2.083441
H -8.532857 -0.784162 -2.208131
H -8.249896 -1.727136 -0.717125
H -8.379064 0.052479 -0.636861


