%chk=000100770.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100770

0 1
 O  -0.6625000     -0.9775000      -1.892200    
 N    2.019100     -0.4216000      0.7873000    
 C  -0.7296000      0.4482000      2.7100001E-02
 C   0.5640000       1.037000     -0.5918000    
 C  -0.3623000     -0.1800000       1.395900    
 C    1.750400      6.5499999E-02 -0.5685000    
 C   0.8489000      -1.117600       1.330400    
 C   -1.825400       1.524600      0.1040000    
 C   -1.252200     -0.6640000     -0.8607000    
 C    3.187900      -1.300900      0.7941000    
 C   -2.261900       2.152700      -1.059400    
 C   -2.375200       1.865900       1.336800    
 C   -2.498500      -1.380100     -0.4672000    
 C    4.425000     -0.5935000      0.3085000    
 C   -3.255400       3.129400     -0.9896000    
 C   -3.368800       2.842400       1.406700    
 C   -3.708500     -0.8953000     -0.9114000    
 C   -2.394600      -2.500500      0.3268000    
 C   -3.808900       3.474200      0.2435000    
 C    4.737300     -0.6131000      -1.043700    
 C    5.236100      6.8099998E-02   1.219900    
 C   -4.875000      -1.565500     -0.5427000    
 C   -3.561000      -3.170800      0.6954000    
 C    5.883700      4.2100001E-02  -1.493500    
 C    6.382400      0.7233000      0.7701000    
 C   -4.801200      -2.703200      0.2607000    
 C    6.706200      0.7102000     -0.5865000    
 H   0.8449000       1.944200     -3.6899999E-02
 H   0.4044000       1.358500      -1.629200    
 H   -1.200400     -0.7033000       1.867500    
 H  -8.4600002E-02  0.6223000       2.095700    
 H    1.609800     -0.7628000      -1.270900    
 H    2.581600      0.6692000     -0.9437000    
 H    1.064500      -1.457200       2.351200    
 H   0.6216000      -2.010500      0.7377000    
 H    3.016800      -2.201000      0.1866000    
 H    3.375100      -1.664800       1.813500    
 H   -1.848500       1.897900      -2.031000    
 H   -2.080000       1.402600       2.270800    
 H   -3.599200       3.620200      -1.895300    
 H   -3.802200       3.109700       2.366000    
 H   -3.784900     -3.5700001E-02  -1.566900    
 H   -1.438900      -2.890700      0.6565000    
 H   -4.583200       4.233700      0.2978000    
 H    4.115900      -1.142400      -1.760500    
 H    4.992400      8.6400002E-02   2.278500    
 H   -5.840100      -1.206600     -0.8885000    
 H   -3.503400      -4.059800       1.316600    
 H    6.137800      2.8899999E-02  -2.549300    
 H    7.022700       1.243900       1.476100    
 H   -5.709100      -3.226900      0.5453000    
 H    7.599200       1.219700     -0.9366000    


%chk=000100770-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100770

0 1
O -1.054680 -0.818398 -2.129493
N 1.937908 -0.460428 0.564047
C -0.834674 0.501179 -0.067237
C 0.452794 1.054910 -0.765558
C -0.393771 -0.069470 1.314605
C 1.622163 0.051817 -0.795540
C 0.749105 -1.093722 1.179403
C -1.854229 1.663635 0.037000
C -1.477390 -0.618348 -0.951759
C 3.120466 -1.352187 0.567799
C -2.464277 2.150304 -1.151327
C -2.164811 2.308526 1.261778
C -2.601356 -1.477904 -0.428285
C 4.432879 -0.612855 0.318554
C -3.358125 3.241121 -1.116328
C -3.055961 3.405730 1.298313
C -3.479397 -1.088289 0.619977
C -2.800973 -2.738687 -1.056763
C -3.658141 3.877424 0.110656
C 5.480623 -1.231811 -0.406299
C 4.643868 0.682766 0.854466
C -4.526448 -1.942187 1.027589
C -3.837196 -3.596642 -0.638854
C 6.721109 -0.576743 -0.584862
C 5.879666 1.341861 0.673911
C -4.704702 -3.200626 0.407420
C 6.925265 0.713249 -0.043583
H 0.763581 1.961202 -0.212203
H 0.213701 1.350401 -1.801655
H -1.239982 -0.530616 1.853507
H -0.008635 0.765092 1.930162
H 1.379090 -0.785343 -1.492872
H 2.520438 0.559765 -1.190603
H 1.028222 -1.459547 2.185692
H 0.397755 -1.983610 0.592556
H 3.021371 -2.183942 -0.176602
H 3.164280 -1.830655 1.567976
H -2.240287 1.667872 -2.110332
H -1.714555 1.963796 2.197829
H -3.819380 3.594831 -2.045328
H -3.277637 3.891524 2.255623
H -3.379355 -0.103736 1.085148
H -2.131154 -3.019204 -1.876220
H -4.350232 4.726310 0.139775
H 5.324860 -2.229820 -0.835884
H 3.820685 1.160250 1.397773
H -5.207524 -1.622829 1.823987
H -3.973125 -4.568248 -1.126422
H 7.522089 -1.068215 -1.149120
H 6.029421 2.344500 1.091420
H -5.515712 -3.863107 0.730440
H 7.884569 1.224604 -0.183282


