%chk=000170973.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000170973

0 1
 O   0.5480000       2.516800      0.6256000    
 O    3.382500       1.543900      -1.490600    
 O    4.542500       3.729000     -0.2205000    
 O    4.766100       2.679700       2.362500    
 O   -5.143300     -3.6600001E-02   1.025300    
 O   -3.527300       3.920900     -0.6623000    
 N  -0.6172000      0.2786000     -0.6433000    
 N   -2.752700      -1.178000      0.5161000    
 N    2.118800      -3.790300     -0.4395000    
 N   -2.101900       2.146600     -0.6554000    
 N   -4.344100       1.977000      0.1750000    
 C    1.367100       1.632900     -0.1409000    
 C   0.5059000      0.9999000      -1.240300    
 C    2.569800       2.415000     -0.7054000    
 C  -0.4372000      -1.083800     -0.3180000    
 C    3.444900       3.049300      0.3922000    
 C   -1.835000      0.9008000     -0.3946000    
 C   -1.514800      -1.787300      0.2578000    
 C   0.7640000      -1.784200     -0.5373000    
 C   0.8918000      -3.133700     -0.1983000    
 C   -2.926300      6.9499999E-02  0.2221000    
 C  -0.1784000      -3.813500      0.3679000    
 C    4.000700       2.010400       1.365200    
 C   -1.376000      -3.142500      0.5946000    
 C   -4.269000      0.6498000      0.5249000    
 C  -7.3600002E-02  -5.255800      0.7411000    
 C   -3.321500       2.734500     -0.3969000    
 C    2.647700      -3.882100      -1.784600    
 C    2.868400      -4.366800      0.6577000    
 H    1.717300      0.8338000      0.5199000    
 H   0.1066000       1.806500      -1.870500    
 H    1.086100      0.3884000      -1.938300    
 H    2.215100       3.212300      -1.370500    
 H    2.871000       3.806000      0.9394000    
 H    1.637600      -1.290400     -0.9521000    
 H    3.221200       1.446600       1.881600    
 H    4.674300       1.310700      0.8613000    
 H   -2.219000      -3.667500       1.040200    
 H  -6.3900001E-02   1.969500       1.146100    
 H    4.128900       2.067300      -1.829200    
 H    5.080700       4.114200      0.4921000    
 H   -1.066500      -5.703200      0.8679000    
 H   0.4222000      -5.839000     -4.1600000E-02
 H   0.4601000      -5.372600       1.689100    
 H   -5.225400       2.452200      0.3477000    
 H    3.415500      -4.660300      -1.854200    
 H    3.103800      -2.933900      -2.087300    
 H    1.858600      -4.136700      -2.500500    
 H    3.934100      -4.135900      0.5488000    
 H    2.764600      -5.456200      0.6698000    
 H    2.553900      -3.968800       1.629000    
 H    4.168000       3.284500       2.833900    


%chk=000170973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170973

0 1
O 0.682674 3.105264 0.034260
O 3.275886 0.647580 -0.881445
O 4.893122 2.712742 -0.556999
O 4.682508 3.460538 2.057716
O -5.299508 0.028508 1.060543
O -3.145076 4.082898 0.263455
N -0.689609 0.162254 -0.511468
N -2.843568 -1.387716 0.489568
N 2.160815 -3.817935 -0.424487
N -1.869693 2.148148 -0.091832
N -4.173794 2.022404 0.612683
C 1.240730 1.788497 -0.227364
C 0.343498 0.977085 -1.198132
C 2.635648 1.975820 -0.842974
C -0.494552 -1.212402 -0.284468
C 3.525680 2.950738 -0.043262
C -1.852912 0.802882 -0.070711
C -1.625822 -1.966639 0.208020
C 0.744298 -1.847932 -0.483312
C 0.899344 -3.243814 -0.236252
C -2.948471 -0.053805 0.368587
C -0.260285 -4.040422 0.153202
C 3.530653 2.722985 1.479546
C -1.465904 -3.374565 0.380736
C -4.240802 0.614324 0.712931
C -0.242816 -5.560773 0.208735
C -3.050595 2.826827 0.255291
C 3.187329 -3.096298 -1.201985
C 2.717021 -4.846513 0.479611
H 1.357503 1.199893 0.710777
H -0.179390 1.690433 -1.859779
H 0.954405 0.299035 -1.811683
H 2.542415 2.373124 -1.875960
H 3.208857 3.988355 -0.261091
H 1.625281 -1.253842 -0.735915
H 2.573015 3.045330 1.925840
H 3.730509 1.666063 1.720899
H -2.362047 -3.931703 0.672807
H -0.335886 2.996412 0.011688
H 4.251290 0.854030 -0.960860
H 5.509988 3.045496 0.152271
H -1.248851 -5.951677 -0.018072
H 0.459430 -5.983792 -0.529897
H 0.036954 -5.957362 1.203355
H -5.030743 2.536322 0.844190
H 3.975031 -3.813223 -1.490145
H 3.657740 -2.269368 -0.629658
H 2.750166 -2.675184 -2.122117
H 3.607575 -4.437271 0.997838
H 3.027326 -5.751987 -0.075299
H 1.989907 -5.130377 1.250329
H 4.428427 4.408114 2.192989


