%chk=000001863.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001863

0 1
 O   6.2500000E-02  -3.356500      0.3569000    
 N    2.164500      -1.419000     -8.1200004E-02
 N   -2.105200       2.002300      5.8200002E-02
 C   -1.333300     -8.7600000E-02 -2.6600000E-02
 C    1.392600      0.6708000      3.8999999E-03
 C    1.014200     -0.6686000     -5.0500002E-02
 C  -0.9549000       1.251800      2.7799999E-02
 C  -0.3232000      -1.060800     -6.6299997E-02
 C   -2.763300     -0.1271000     -2.8200001E-02
 C    2.822600      0.7103000      5.1000002E-03
 C   0.3825000       1.644000      4.3699998E-02
 C   -3.215800       1.191900      2.5300000E-02
 C    3.275100     -0.6086000     -4.8700001E-02
 C   -3.716600      -1.166100     -7.0400000E-02
 C    3.775900       1.749300      4.7100000E-02
 C   -4.574900       1.525800      3.8899999E-02
 C    4.634200     -0.9426000     -6.2600002E-02
 C  -0.6556000      -2.475900     -0.1243000    
 C   -5.079300     -0.8476000     -5.7500001E-02
 C    5.138600       1.431000      3.3500001E-02
 C   -5.499800      0.4790000     -3.5999999E-03
 C    5.559100      0.1042000     -2.0500001E-02
 H   0.6416000       2.699100      8.6599998E-02
 H    2.194000      -2.428400     -0.1223000    
 H   -2.132100       3.011700      9.9100001E-02
 H   -3.441600      -2.213500     -9.1300003E-02
 H    3.463600       2.789000      8.9500003E-02
 H   -4.903200       2.559000      8.1200004E-02
 H    4.962500      -1.975700     -0.1046000    
 H   -1.571000      -2.760800     -0.6575000    
 H   -5.816800      -1.645400     -8.4899999E-02
 H    5.875600       2.229000      6.5700002E-02
 H   -6.563000      0.7050000      6.8000001E-03
 H    6.622300     -0.1218000     -3.0099999E-02


%chk=000001863-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001863

0 1
O 0.352132 -3.472530 -0.152737
N 2.180283 -1.459697 -0.073793
N -2.116574 2.037086 0.049767
C -1.345565 -0.144676 -0.030190
C 1.392136 0.705095 0.005319
C 1.021970 -0.690528 -0.047617
C -0.954431 1.245642 0.022379
C -0.325470 -1.155975 -0.066922
C -2.806258 -0.162757 -0.033135
C 2.851033 0.747568 0.009255
C 0.384778 1.688735 0.040752
C -3.244273 1.212157 0.017385
C 3.305239 -0.618200 -0.040699
C -3.796549 -1.181164 -0.073026
C 3.800889 1.794037 0.050825
C -4.608203 1.574989 0.028198
C 4.675205 -0.948555 -0.049584
C -0.576819 -2.592896 -0.121043
C -5.159559 -0.826501 -0.062421
C 5.175072 1.470731 0.042145
C -5.562110 0.538682 -0.012301
C 5.604239 0.114749 -0.007549
H 0.630736 2.755381 0.081501
H 2.119343 -2.483929 -0.111500
H -2.130429 3.053170 0.088733
H -3.521390 -2.239035 -0.112280
H 3.481234 2.841596 0.089718
H -4.919119 2.624696 0.066636
H 5.011727 -1.989738 -0.087345
H -1.634841 -2.927524 -0.134873
H -5.922699 -1.611241 -0.093163
H 5.922558 2.270571 0.074078
H -6.629250 0.786625 -0.005026
H 6.676765 -0.109362 -0.013285


