%chk=000161345.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161345

0 1
 O   -4.798300      -1.098800       1.722200    
 O   -4.204500       2.641700     -0.9710000    
 O   -4.669700       3.054600       1.259000    
 O    6.366900     -0.6804000      0.4756000    
 O    5.850300       2.033900      0.6143000    
 N   -1.208900      -1.899800     -0.7782000    
 N    1.203200      0.9445000     -0.4296000    
 C   -3.607300      -1.372300     -0.4350000    
 C   -3.278400      0.1407000     -0.4699000    
 C  -0.8607000     -0.4657000     -0.9848000    
 C   -1.796800      0.4109000     -0.1417000    
 C   -2.570800      -2.162000      -1.254200    
 C   -3.757600      -1.830100       1.040100    
 C   0.5829000     -0.2537000     -0.6431000    
 C  -0.2297000      -2.800900      -1.423300    
 C    1.530800      -1.251900     -0.5592000    
 C    1.164400      -2.680200     -0.7636000    
 C   -4.175100      0.8695000      0.4853000    
 C    2.775900     -0.6414000     -0.2501000    
 C   -4.125200      -3.305800       1.174400    
 C   -4.854100      0.2426000       1.452000    
 C    2.542300      0.7363000     -0.1736000    
 C   -4.383400       2.310300      0.3333000    
 C    4.082600      -1.120300     -2.8600000E-02
 C    3.556400       1.657000      0.1137000    
 C    5.104800     -0.2096000      0.2612000    
 C    4.843600       1.157200      0.3307000    
 C   -4.375000       4.028500      -1.281600    
 C    6.712800      -1.014700       1.817400    
 C    6.578900       2.560000     -0.4917000    
 H   -4.585500      -1.508000     -0.9209000    
 H   -3.465500      0.4683000      -1.501000    
 H  -0.9864000     -0.2062000      -2.046100    
 H   -1.602200      0.2462000      0.9275000    
 H   -1.577600       1.471100     -0.3259000    
 H   -2.798200      -3.231700      -1.194500    
 H   -2.662300      -1.892600      -2.315300    
 H   -2.826500      -1.664000       1.596500    
 H  -0.1574000      -2.576900      -2.496200    
 H  -0.5528000      -3.845000      -1.331100    
 H    1.909900      -3.182700      -1.389700    
 H    1.152600      -3.183900      0.2108000    
 H   0.7550000       1.850100     -0.4515000    
 H   -4.345400      -3.550700       2.219700    
 H   -5.029700      -3.536200      0.6010000    
 H   -3.317300      -3.961400      0.8390000    
 H   -5.555200      0.7213000       2.122700    
 H    4.294300      -2.184800     -8.2500003E-02
 H    3.348600       2.721000      0.1669000    
 H   -4.207000       4.159800      -2.353800    
 H   -3.643500       4.631100     -0.7347000    
 H   -5.394200       4.347300      -1.043600    
 H    7.748200      -1.366000       1.827100    
 H    6.067900      -1.816300       2.191500    
 H    6.635400     -0.1367000       2.466400    
 H    7.349000       3.233500     -0.1057000    
 H    5.916600       3.128400      -1.152400    
 H    7.066900       1.755300      -1.050800    


%chk=000161345-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161345

0 1
O -4.836681 -1.194393 1.741275
O -3.896522 2.823034 -0.762139
O -5.384650 2.948963 1.035059
O 6.384218 -0.698453 0.489794
O 5.848926 2.143739 0.502791
N -1.266669 -1.932031 -0.848011
N 1.131674 0.967693 -0.514233
C -3.684670 -1.433038 -0.464753
C -3.371600 0.092595 -0.482114
C -0.938969 -0.483992 -1.022932
C -1.880646 0.366611 -0.136950
C -2.646303 -2.198184 -1.314966
C -3.764304 -1.955568 0.987153
C 0.519928 -0.282845 -0.706831
C -0.259615 -2.834790 -1.470120
C 1.470064 -1.290822 -0.572189
C 1.098992 -2.742078 -0.736734
C -4.323828 0.819317 0.452406
C 2.735260 -0.651007 -0.272822
C -4.151036 -3.424616 1.141383
C -4.985980 0.139724 1.446712
C 2.493812 0.770656 -0.248122
C -4.613251 2.256095 0.319750
C 4.046541 -1.127544 -0.012903
C 3.521809 1.705309 -0.007552
C 5.073016 -0.205019 0.249191
C 4.817422 1.209224 0.229805
C -4.147904 4.262994 -0.986120
C 6.860473 -0.479683 1.874260
C 6.926885 2.174629 -0.512775
H -4.682428 -1.590364 -0.925246
H -3.542491 0.464109 -1.511982
H -1.127919 -0.185654 -2.093993
H -1.674451 0.139311 0.924576
H -1.686990 1.444428 -0.293850
H -2.832126 -3.285876 -1.264040
H -2.782214 -1.893675 -2.386797
H -2.816891 -1.750405 1.518723
H -0.110824 -2.590771 -2.552917
H -0.650403 -3.867560 -1.413032
H 1.866156 -3.288854 -1.319638
H 1.020205 -3.242803 0.248764
H 0.657997 1.867650 -0.538729
H -4.390829 -3.637960 2.197033
H -5.035527 -3.673372 0.528045
H -3.312744 -4.077503 0.844306
H -5.718579 0.626503 2.098178
H 4.284811 -2.195788 0.001776
H 3.360120 2.787647 -0.004352
H -3.525836 4.528284 -1.853490
H -3.860683 4.849039 -0.096486
H -5.216258 4.439267 -1.197339
H 7.879913 -0.894981 1.906466
H 6.211760 -1.018956 2.591399
H 6.873874 0.598284 2.117946
H 7.656867 2.912519 -0.145139
H 6.520436 2.501396 -1.489451
H 7.396664 1.179967 -0.614645


