%chk=000170524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170524

0 1
 O    4.130800       2.168400     -0.2535000    
 O    5.474700     -0.1779000      0.3777000    
 O   -6.441700      0.6239000     -0.3691000    
 N  -0.6991000      -1.588100     -0.7533000    
 C  -0.1394000     -0.2428000     -0.5225000    
 C    1.360200     -0.2357000     -0.2898000    
 C    2.043800      -1.420900      3.7999999E-02
 C    1.311600      -2.736300      9.1300003E-02
 C  -0.2001000      -2.559900      0.2212000    
 C  -0.8893000      0.4562000      0.6177000    
 C    2.079700      0.9659000     -0.3831000    
 C    3.428500      -1.388100      0.2537000    
 C   -2.366900      0.5006000      0.3548000    
 C    3.455900      0.9895000     -0.1569000    
 C    4.129500     -0.1865000      0.1615000    
 C   -2.911300       1.581700     -0.3280000    
 C   -3.175100     -0.5396000      0.7977000    
 C   -4.284200       1.623200     -0.5713000    
 C   -4.547800     -0.4983000      0.5542000    
 C   -5.102500      0.5831000     -0.1303000    
 C    4.248100       2.947100      0.9354000    
 C    6.315000     -0.3938000     -0.7546000    
 C   -7.220300     -0.4718000      0.1091000    
 H  -0.3230000      0.3178000      -1.450000    
 H    1.539700      -3.291200     -0.8276000    
 H    1.672600      -3.330900      0.9390000    
 H  -0.6936000      -3.523100      4.9899999E-02
 H  -0.4620000      -2.261100       1.242300    
 H  -0.5217000       1.483600      0.7451000    
 H  -0.6973000     -2.5800001E-02   1.585700    
 H  -0.4307000      -1.898300      -1.687900    
 H    1.563000       1.889100     -0.6362000    
 H    3.961700      -2.305800      0.4917000    
 H   -2.283100       2.396100     -0.6779000    
 H   -2.762300      -1.381300       1.345800    
 H   -4.710300       2.467800      -1.105700    
 H   -5.125500      -1.337200      0.9271000    
 H    4.786000       2.390500       1.709300    
 H    3.258700       3.239300       1.301600    
 H    4.814400       3.851800      0.6981000    
 H    6.154800      0.3845000      -1.507400    
 H    6.127500      -1.381100      -1.188400    
 H    7.355700     -0.3496000     -0.4221000    
 H   -6.933100      -1.411300     -0.3753000    
 H   -8.261000     -0.2744000     -0.1683000    
 H   -7.188400     -0.5415000       1.201700    


%chk=000170524-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170524

0 1
O 3.814601 2.244721 -0.489275
O 5.549377 -0.020915 0.198132
O -6.488585 1.162439 -0.445111
N -0.637756 -2.119482 -0.321541
C -0.196570 -0.701793 -0.301482
C 1.330058 -0.536822 -0.161302
C 2.172234 -1.634456 0.175280
C 1.599430 -3.033648 0.381957
C 0.075217 -2.983837 0.644657
C -0.956542 0.086827 0.825481
C 1.913586 0.738761 -0.363224
C 3.569946 -1.424418 0.278397
C -2.423059 0.332040 0.512072
C 3.300359 0.946084 -0.246983
C 4.146385 -0.159845 0.056936
C -2.876204 1.627421 0.140638
C -3.378024 -0.713024 0.558032
C -4.226331 1.873629 -0.173986
C -4.738767 -0.487479 0.246703
C -5.163812 0.813181 -0.120328
C 4.467451 2.870247 0.684376
C 6.253879 0.380253 -1.041749
C -7.494356 0.101297 -0.395123
H -0.505032 -0.251522 -1.265257
H 1.789482 -3.646767 -0.524154
H 2.122309 -3.539676 1.217317
H -0.361150 -3.998331 0.602510
H -0.111755 -2.592786 1.663159
H -0.444880 1.054302 0.978652
H -0.842653 -0.480937 1.769427
H -0.627303 -2.513663 -1.270712
H 1.292246 1.605560 -0.618526
H 4.240660 -2.255754 0.525051
H -2.160486 2.458625 0.102254
H -3.039685 -1.720956 0.817145
H -4.577257 2.871185 -0.456029
H -5.446460 -1.320943 0.295921
H 5.296746 2.242140 1.057218
H 3.726763 3.029431 1.491257
H 4.846617 3.840116 0.327478
H 5.851799 1.330999 -1.436072
H 6.157126 -0.413244 -1.807333
H 7.310280 0.496093 -0.754655
H -7.265311 -0.708600 -1.115703
H -8.440831 0.587715 -0.674369
H -7.581544 -0.326368 0.623262


