%chk=000053108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053108

0 1
 N   0.9846000     -0.1334000     -0.9893000    
 N    2.275600      8.8200003E-02  -1.535500    
 N    3.990700       1.406900       1.516900    
 C   0.5269000      -1.325400     -0.4745000    
 C  -0.7854000      -1.111500     -4.7200002E-02
 C   -1.098000      0.2490000     -0.3235000    
 C    3.106000      0.9958000     -0.7279000    
 C   9.8999999E-03  0.8240000     -0.9023000    
 C    3.153100      0.5173000      0.7200000    
 C   -1.495000      -2.184800      0.5271000    
 C    1.167500      -2.563900     -0.3559000    
 C   -2.307300      0.9837000     -8.4399998E-02
 C    2.250800      0.5167000      -2.943100    
 C  -0.8670000      -3.429400      0.6523000    
 C   0.4438000      -3.613700      0.2169000    
 C   -3.303400       1.026400      -1.060800    
 C   -2.488800       1.656400       1.124700    
 C   -1.612000      -4.571400       1.259700    
 C    3.475000       2.776100       1.472700    
 C    5.375700       1.370000       1.044900    
 C   -4.479000       1.740500     -0.8285000    
 C   -3.664300       2.370300       1.357100    
 C   -4.659400       2.412300      0.3805000    
 H    2.697900       2.008200     -0.8166000    
 H    4.105600      0.9961000      -1.174000    
 H   0.1794000       1.834500      -1.253000    
 H    3.538300     -0.5090000      0.7785000    
 H    2.160200      0.4938000       1.183500    
 H   -2.518100      -2.045000      0.8659000    
 H    2.187800      -2.713700     -0.6931000    
 H    1.824300       1.518100      -3.069000    
 H    1.665400     -0.1869000      -3.545900    
 H    3.264800      0.5198000      -3.358000    
 H   0.9235000      -4.584900      0.3165000    
 H   -3.179300      0.5076000      -2.008600    
 H   -1.723400       1.633500       1.897000    
 H   -2.141400      -5.130200      0.4817000    
 H  -0.9326000      -5.253700       1.781900    
 H   -2.341400      -4.220100       1.997500    
 H    2.402700       2.807000       1.697700    
 H    3.656100       3.295900      0.5259000    
 H    3.966900       3.367500       2.254100    
 H    6.018000       1.873600       1.777100    
 H    5.537900       1.870600      8.4799998E-02
 H    5.743500      0.3402000      0.9739000    
 H   -5.254000       1.773100      -1.588700    
 H   -3.805100       2.893400       2.298400    
 H   -5.574800       2.968100      0.5614000    


%chk=000053108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053108

0 1
N 0.994413 -0.200735 -1.049199
N 2.296546 -0.076720 -1.617770
N 4.180165 1.582342 1.311066
C 0.529746 -1.371720 -0.429863
C -0.810821 -1.116539 0.020147
C -1.140039 0.260890 -0.344719
C 3.118822 0.966520 -0.940565
C -0.014761 0.775605 -1.001874
C 3.381008 0.604982 0.550300
C -1.527312 -2.176777 0.642013
C 1.167047 -2.617327 -0.257595
C -2.389964 1.003495 -0.087574
C 2.236364 0.058642 -3.097041
C -0.912819 -3.433253 0.827015
C 0.433477 -3.634604 0.379361
C -2.860562 1.985202 -1.006803
C -3.153966 0.777654 1.093148
C -1.658920 -4.575307 1.499246
C 3.510153 2.857411 1.612812
C 5.577184 1.730475 0.877210
C -4.039381 2.717025 -0.752943
C -4.338810 1.502539 1.342651
C -4.789817 2.477311 0.422536
H 2.650719 1.977062 -1.015358
H 4.077456 1.004508 -1.490301
H 0.149857 1.776916 -1.395687
H 3.894188 -0.375303 0.580439
H 2.409941 0.477805 1.064300
H -2.564872 -2.031903 0.962131
H 2.189665 -2.773101 -0.613301
H 1.808834 1.029388 -3.438613
H 1.623425 -0.760376 -3.506880
H 3.260632 -0.033339 -3.497704
H 0.898886 -4.616277 0.532750
H -2.307535 2.153131 -1.938829
H -2.794692 0.057695 1.835904
H -1.652577 -5.487491 0.873184
H -1.196581 -4.844189 2.468743
H -2.712347 -4.309610 1.694756
H 2.492342 2.658760 1.993841
H 3.421199 3.553534 0.740516
H 4.070688 3.390506 2.403641
H 6.148710 2.274383 1.652353
H 5.708411 2.288530 -0.085198
H 6.035134 0.731808 0.756228
H -4.381702 3.464374 -1.478241
H -4.905502 1.313929 2.261808
H -5.709834 3.039747 0.616757


