%chk=000173406.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173406

0 1
 O    4.815500       3.271100      2.6600000E-02
 O    6.821000       1.386900      0.4082000    
 O   -6.162000      0.6133000       1.908700    
 O   -6.523600       2.322700     -0.2524000    
 N  -0.1626000      -2.108700     -0.4701000    
 C    1.155200      -1.695600      1.0300000E-02
 C    2.233000      -2.627700     -0.5463000    
 C    1.447500     -0.2478000     -0.4074000    
 C    3.598900      -2.270900      4.0899999E-02
 C    2.879800      0.1614000     -0.1617000    
 C    3.898900     -0.7935000      7.8999996E-03
 C   -1.202000      -1.247900      7.2700001E-02
 C   -2.574700      -1.703500     -0.4549000    
 C    3.207600       1.525800     -0.1629000    
 C    5.219100     -0.3629000      0.2095000    
 C   -1.116200      -1.293600       1.598400    
 C   -3.632100     -0.6272000     -0.3976000    
 C    4.525100       1.940300      2.8200001E-02
 C    5.530100      0.9964000      0.2169000    
 C   -4.414600     -0.5044000      0.7393000    
 C   -3.800700      0.2174000      -1.483200    
 C   -5.391900      0.4896000      0.7921000    
 C   -4.777800       1.211100      -1.430500    
 C   -5.573400       1.347500     -0.2928000    
 H    1.233200      -1.795100       1.099200    
 H    2.270600      -2.546700      -1.641100    
 H    2.006700      -3.675300     -0.3119000    
 H   0.8207000      0.4521000      0.1562000    
 H    1.240000     -0.1070000      -1.476700    
 H    4.371500      -2.819900     -0.5108000    
 H    3.641000      -2.602500       1.086100    
 H  -0.3353000      -3.078300     -0.2052000    
 H   -1.073000     -0.2156000     -0.2686000    
 H   -2.919800      -2.596900      8.3400004E-02
 H   -2.483800      -2.021700      -1.503700    
 H    2.423600       2.264600     -0.3158000    
 H    6.009900      -1.094300      0.3616000    
 H  -0.2651000     -0.7344000       1.999000    
 H   -1.076100      -2.321300       1.978200    
 H   -1.993300     -0.8240000       2.053100    
 H   -4.286200      -1.176700       1.583100    
 H   -3.184300      0.1211000      -2.372300    
 H    3.996100       3.774700     -0.1179000    
 H    6.853500       2.359100      0.3832000    
 H   -4.908000       1.873200      -2.282300    
 H   -6.782900       1.350000       1.771900    
 H   -6.504900       2.817900      -1.089300    


%chk=000173406-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173406

0 1
O 5.500643 3.133939 -0.298014
O 7.258499 1.129226 0.174084
O -6.936452 -0.326194 1.444346
O -7.093486 1.941947 -0.011915
N -0.119424 -1.881350 -0.284336
C 1.245530 -1.511584 0.164341
C 2.244188 -2.576666 -0.338494
C 1.654585 -0.134369 -0.404181
C 3.659100 -2.305458 0.212333
C 3.138386 0.171972 -0.217231
C 4.092019 -0.851653 0.038280
C -1.260741 -1.026280 0.143488
C -2.538577 -1.552740 -0.576226
C 3.583750 1.515894 -0.330616
C 5.464356 -0.516303 0.166779
C -1.460509 -0.942134 1.679308
C -3.738376 -0.625244 -0.456189
C 4.944587 1.832795 -0.202221
C 5.899262 0.812733 0.048250
C -4.800550 -0.909963 0.439283
C -3.801198 0.559218 -1.235113
C -5.893882 -0.031949 0.558217
C -4.895810 1.448218 -1.123021
C -5.937402 1.150019 -0.226205
H 1.335918 -1.468453 1.279736
H 2.244068 -2.559752 -1.445586
H 1.910130 -3.586810 -0.025335
H 1.054233 0.671733 0.061054
H 1.395698 -0.139575 -1.483726
H 4.390946 -2.974709 -0.278833
H 3.684817 -2.561376 1.292512
H -0.311195 -2.871747 -0.066913
H -1.067904 -0.005782 -0.241347
H -2.787811 -2.552337 -0.165302
H -2.266293 -1.696171 -1.638926
H 2.850704 2.311862 -0.522445
H 6.213680 -1.291341 0.360952
H -0.556852 -0.551489 2.182031
H -1.678642 -1.944392 2.097972
H -2.304592 -0.275865 1.932137
H -4.792995 -1.816622 1.053200
H -2.995489 0.784810 -1.943073
H 4.810257 3.813833 -0.483207
H 7.366059 2.109813 0.057779
H -4.935829 2.358299 -1.735418
H -7.616080 0.396276 1.386976
H -7.097126 2.748523 -0.579885


