%chk=000158742.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158742

0 1
 O    4.648800      0.1684000      -1.075200    
 O    4.274000      0.2999000       1.673800    
 O   0.5982000      -3.707100      0.2855000    
 O   -1.904600      -4.182800     -0.8262000    
 N   -1.467100       1.974300      5.4000001E-02
 C  -0.4136000       1.704800       1.069600    
 C   0.9423000       1.296200      0.4877000    
 C  -0.9277000       2.607700      -1.155000    
 C   5.2800000E-02   1.660400      -1.838700    
 C    1.159900       1.275000     -0.9008000    
 C  -0.9273000      0.5972000       2.009600    
 C   -2.542700       2.813100      0.5968000    
 C    2.017500      0.9841000       1.338000    
 C   -1.183600     -0.6738000       1.257600    
 C    2.402700      0.8776000      -1.415000    
 C    3.257100      0.6051000      0.8200000    
 C    3.446800      0.5426000     -0.5562000    
 C   -3.657100       2.987300     -0.3887000    
 C  -0.1647000      -1.610600       1.118200    
 C   -2.438300     -0.9064000      0.7037000    
 C  -0.4031000      -2.792900      0.4176000    
 C   -2.676800      -2.088700      3.0000000E-03
 C   -1.659200      -3.031900     -0.1400000    
 C   -4.064400       4.173300     -0.8553000    
 C    4.845000      -1.223300      -1.319200    
 C   -3.214800      -4.349600      -1.364700    
 H  -0.2285000       2.620200       1.649400    
 H  -0.4383000       3.561500     -0.9136000    
 H   -1.703300       2.818800      -1.898800    
 H   0.4664000       2.160200      -2.722900    
 H  -0.4606000      0.7515000      -2.176600    
 H   -1.840900      0.9044000       2.532700    
 H  -0.2185000      0.4021000       2.824400    
 H   -2.149500       3.788300      0.9144000    
 H   -2.987400       2.352700       1.484900    
 H    1.896100       1.040300       2.417300    
 H    2.558100      0.8416000      -2.491000    
 H   -4.169400       2.091500     -0.7314000    
 H   0.8053000      -1.452100       1.578300    
 H   -3.246100     -0.1893000      0.8180000    
 H   -3.676500      -2.207900     -0.4001000    
 H    5.067800      9.7199999E-02   1.149500    
 H   -4.882800       4.232500      -1.564500    
 H   -3.592700       5.098400     -0.5431000    
 H    5.861300      -1.365000      -1.696700    
 H    4.137700      -1.581300      -2.074100    
 H    4.730900      -1.799800     -0.3956000    
 H    1.396500      -3.369700      0.7270000    
 H   -3.972800      -4.395100     -0.5753000    
 H   -3.231600      -5.317000      -1.877300    
 H   -3.441900      -3.587100      -2.117500    


%chk=000158742-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158742

0 1
O 4.703211 -0.271686 -0.599586
O 4.287691 0.377203 1.969016
O 0.379877 -3.972173 0.658338
O -1.894965 -4.393340 -0.708768
N -1.365681 2.189914 0.072853
C -0.406888 1.753281 1.126032
C 0.938646 1.270318 0.582184
C -0.808255 2.456772 -1.270206
C -0.011480 1.233681 -1.755736
C 1.124602 0.959418 -0.786928
C -1.073087 0.636416 2.023675
C -2.301005 3.236902 0.541178
C 2.008230 1.081965 1.495209
C -1.332364 -0.677499 1.309307
C 2.370674 0.445686 -1.230783
C 3.237157 0.566272 1.059873
C 3.415533 0.237407 -0.314450
C -3.574833 3.280963 -0.280658
C -0.364233 -1.715318 1.336110
C -2.524734 -0.901884 0.584924
C -0.566368 -2.931887 0.654766
C -2.745475 -2.122107 -0.097150
C -1.773826 -3.149042 -0.072293
C -4.132271 4.405278 -0.794232
C 4.990360 -0.643579 -1.985066
C -3.135374 -4.642500 -1.442093
H -0.192610 2.606659 1.817905
H -0.146321 3.360573 -1.284223
H -1.656137 2.660712 -1.949274
H 0.379508 1.414852 -2.774757
H -0.699321 0.367115 -1.806435
H -2.024223 1.048488 2.412376
H -0.414290 0.473717 2.898377
H -1.829921 4.252539 0.556352
H -2.571959 2.999527 1.589944
H 1.900276 1.336271 2.555223
H 2.502707 0.213712 -2.292955
H -4.057283 2.303912 -0.435650
H 0.572828 -1.562059 1.889136
H -3.281748 -0.112376 0.543447
H -3.681389 -2.268110 -0.645028
H 5.070643 0.026100 1.467232
H -5.074852 4.376446 -1.352158
H -3.661515 5.388814 -0.668150
H 6.023847 -1.019921 -1.981520
H 4.913109 0.234583 -2.654629
H 4.302091 -1.438245 -2.331469
H 1.173697 -3.697061 1.182195
H -4.017918 -4.598130 -0.773369
H -3.027467 -5.659723 -1.846609
H -3.267495 -3.922054 -2.273972


