%chk=000162514.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162514

0 1
 O    1.360400     -0.8381000     -0.2233000    
 O    3.019700       1.050100      0.7336000    
 O   0.9905000      -1.468300       1.997700    
 O    3.376900       1.922300      -1.406100    
 N   -4.825000       1.314300      0.3421000    
 C   -3.382000      0.9974000      0.5037000    
 C   -2.912100     -0.1341000     -0.4167000    
 C   -2.498000       2.240700      0.2547000    
 C   -3.848300      -1.031500     -0.9669000    
 C   -5.621600      8.0499999E-02  0.4371000    
 C   -5.322300     -0.8306000     -0.7497000    
 C   -1.525000     -0.3066000     -0.6563000    
 C   -1.028000       1.906700      0.3771000    
 C  -0.5597000      0.6532000     -7.2899997E-02
 C   -5.300500       2.268700       1.349300    
 C   -3.412300      -2.082200      -1.779600    
 C   -1.124500      -1.376700      -1.476700    
 C   0.8136000      0.3816000      6.1900001E-02
 C  -0.1387000       2.859600      0.8971000    
 C   -2.056800      -2.255100      -2.030100    
 C    1.691900       1.328900      0.5963000    
 C    1.217400       2.568900       1.008000    
 C    1.397000      -1.719100      0.8711000    
 C    2.019300      -3.027100      0.4349000    
 C    3.800800       1.406400     -0.3808000    
 C    5.246300       1.050800     -0.1116000    
 C    2.113000      -4.025700       1.585600    
 C    6.147200       1.390300      -1.296200    
 C    2.769800      -5.323600       1.145300    
 C    7.591200      0.9985000      -1.028600    
 H   -3.209300      0.6408000       1.531100    
 H   -2.675300       2.652800     -0.7476000    
 H   -2.734000       3.024300      0.9828000    
 H   -5.420200     -0.4425000       1.382100    
 H   -6.694500      0.3099000      0.4182000    
 H   -5.810200      -1.798500     -0.5826000    
 H   -5.747200     -0.3962000      -1.663800    
 H   -4.845700       3.254100       1.213600    
 H   -5.102100       1.925300       2.370800    
 H   -6.380200       2.430300       1.247800    
 H   -4.128900      -2.766000      -2.227200    
 H  -9.4700001E-02  -1.534400      -1.775900    
 H  -0.5014000       3.831000       1.223300    
 H   -1.723200      -3.063900      -2.674100    
 H    1.894900       3.310500       1.421600    
 H    3.021700      -2.812300      4.7899999E-02
 H    1.406600      -3.445400     -0.3711000    
 H    5.297100     -2.3800001E-02  9.6799999E-02
 H    5.574100       1.603300      0.7758000    
 H    1.111100      -4.239900       1.976700    
 H    2.688900      -3.591900       2.412000    
 H    6.095900       2.464800      -1.508900    
 H    5.793700      0.8727000      -2.196000    
 H    2.198100      -5.799600      0.3423000    
 H    3.787600      -5.145300      0.7839000    
 H    2.825200      -6.024300       1.984400    
 H    8.218400       1.251700      -1.889000    
 H    7.678800     -7.7900000E-02 -0.8494000    
 H    7.985000       1.526000     -0.1540000    


%chk=000162514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162514

0 1
O 1.416442 -0.579472 -0.251736
O 2.995919 1.533201 0.607341
O 0.775659 -1.341741 1.878362
O 3.458119 1.323365 -1.688015
N -4.852471 1.149985 0.583941
C -3.373684 1.007143 0.537286
C -2.919993 -0.132542 -0.381448
C -2.679475 2.300405 0.040297
C -3.829701 -1.084663 -0.901979
C -5.520816 -0.168197 0.728297
C -5.304004 -1.003458 -0.541549
C -1.532929 -0.198167 -0.726422
C -1.172397 2.131423 0.121897
C -0.616998 0.855219 -0.207398
C -5.294692 2.095156 1.631818
C -3.357306 -2.100353 -1.769427
C -1.088105 -1.210736 -1.617138
C 0.780069 0.680760 -0.031494
C -0.336515 3.188417 0.539832
C -1.996652 -2.157653 -2.133056
C 1.606041 1.750934 0.372128
C 1.059683 3.014781 0.646775
C 1.320842 -1.562708 0.785261
C 1.956021 -2.852890 0.305683
C 3.844243 1.257487 -0.509645
C 5.227973 0.896614 -0.004662
C 2.217959 -3.860635 1.443567
C 6.325604 1.055406 -1.077724
C 2.768921 -5.198199 0.907343
C 7.701718 0.584481 -0.563561
H -2.977277 0.790320 1.568557
H -3.011592 2.486711 -1.000930
H -2.982273 3.172039 0.644814
H -5.141610 -0.728408 1.621749
H -6.600648 0.008532 0.884247
H -5.719815 -2.020340 -0.404027
H -5.862264 -0.531335 -1.373588
H -4.920305 3.112051 1.427679
H -4.957048 1.801042 2.658073
H -6.397588 2.143233 1.633008
H -4.066153 -2.837105 -2.167378
H -0.040670 -1.233275 -1.928331
H -0.781111 4.158953 0.785871
H -1.643507 -2.930537 -2.824716
H 1.720578 3.827020 0.962403
H 2.882698 -2.611149 -0.247551
H 1.265401 -3.292915 -0.443872
H 5.186012 -0.156749 0.343023
H 5.446374 1.500203 0.895108
H 1.277979 -4.028275 2.000463
H 2.929456 -3.419671 2.167529
H 6.381142 2.116171 -1.388375
H 6.035744 0.485769 -1.979672
H 2.051185 -5.676350 0.214215
H 3.718984 -5.052348 0.359096
H 2.962170 -5.906833 1.732622
H 8.479235 0.712885 -1.337928
H 7.679493 -0.485868 -0.283408
H 8.016332 1.158667 0.328244


