%chk=000170825.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170825

0 1
 O    5.741800      0.9688000      0.5622000    
 O   -4.835300     -0.1636000      -1.240300    
 N   -4.814500       3.284000     -0.7157000    
 C    2.619900     -0.6183000     -0.4704000    
 C   0.3491000      0.4128000     -4.8599999E-02
 C    3.338500      0.4915000      0.3214000    
 C    1.191200     -0.8909000      1.8600000E-02
 C   -1.121300      0.1794000      0.4971000    
 C   -3.212000      -1.276100      8.0100000E-02
 C   -1.729700      -1.136000     -5.9000000E-02
 C    4.759200      0.4310000     -0.3207000    
 C    1.078500       1.632300      0.5814000    
 C    2.538100       1.788600      0.1200000    
 C    3.617200      -1.772100     -0.4588000    
 C   0.5288000      -1.977600     -0.8366000    
 C    4.997500      -1.091400     -0.5117000    
 C   -3.739200      -1.962100       1.330200    
 C   -3.895000      -2.631700      5.5999998E-03
 C   -1.996300       1.386500      2.5800001E-02
 C  -0.9548000      -2.051300     -0.6753000    
 C    3.445200      0.1923000       1.844900    
 C   -3.943700     -7.1500003E-02 -0.4055000    
 C   -3.503600       1.217800      0.2538000    
 C   -1.133800      0.1093000       2.043000    
 C    4.911100       1.175200      -1.653300    
 C   -4.236700       2.373200     -0.2883000    
 H    2.529000     -0.2979000      -1.519700    
 H   0.2571000      0.6547000      -1.120300    
 H    1.224600      -1.254400       1.051800    
 H    1.067800       1.571100       1.672800    
 H   0.5457000       2.554400      0.3235000    
 H    2.520500       2.075100     -0.9382000    
 H    3.008800       2.618400      0.6604000    
 H    3.473700      -2.444500      -1.310800    
 H    3.524900      -2.372300      0.4534000    
 H   0.9586000      -2.951900     -0.5739000    
 H   0.7417000      -1.815700      -1.900700    
 H    5.648200      -1.500100      0.2703000    
 H    5.487200      -1.304300      -1.469000    
 H   -4.630600      -1.563500       1.800800    
 H   -3.036600      -2.403600       2.027900    
 H   -3.321100      -3.536400     -0.1521000    
 H   -4.896100      -2.691000     -0.4075000    
 H   -1.822100       1.552300      -1.048000    
 H   -1.668700       2.304700      0.5304000    
 H   -1.410900      -2.935500      -1.111600    
 H    2.475300      1.1400000E-02   2.315100    
 H    4.062900     -0.6869000       2.055300    
 H    3.898400       1.039400       2.373200    
 H   -3.726600       1.140500       1.324100    
 H   -2.129000     -0.1029000       2.444200    
 H  -0.4666000     -0.6728000       2.419300    
 H  -0.8306000       1.058600       2.495200    
 H    5.926800       1.045500      -2.046000    
 H    4.210100      0.8281000      -2.417300    
 H    4.780100       2.254700      -1.520400    
 H    5.527200       1.905700      0.7097000    


%chk=000170825-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170825

0 1
O 5.870688 0.927660 0.589024
O -5.375889 -0.153939 0.314745
N -4.896081 3.220429 -0.913338
C 2.632368 -0.648624 -0.407226
C 0.351595 0.413242 -0.066354
C 3.355909 0.514463 0.338357
C 1.185131 -0.899630 0.064647
C -1.126380 0.234261 0.452432
C -3.227697 -1.258321 0.157530
C -1.736603 -1.091555 -0.048441
C 4.799481 0.427468 -0.309398
C 1.074384 1.634511 0.576895
C 2.539380 1.806682 0.092426
C 3.648787 -1.817530 -0.350406
C 0.525084 -2.020448 -0.767366
C 5.041993 -1.113558 -0.451052
C -3.722595 -2.424412 1.113842
C -3.979493 -2.517440 -0.366657
C -1.987989 1.383452 -0.163285
C -0.976863 -2.071744 -0.610518
C 3.490066 0.246085 1.863675
C -4.121314 -0.050612 0.243316
C -3.458215 1.351385 0.329671
C -1.196935 0.274859 2.010630
C 4.935095 1.161942 -1.661123
C -4.277094 2.372838 -0.347175
H 2.550027 -0.337157 -1.474506
H 0.277926 0.616789 -1.160344
H 1.196154 -1.220386 1.126850
H 1.071296 1.536786 1.677627
H 0.519315 2.564177 0.346143
H 2.530136 2.046839 -0.989509
H 2.992974 2.674975 0.614173
H 3.494126 -2.551289 -1.161329
H 3.550440 -2.365988 0.605823
H 0.957668 -3.002978 -0.490810
H 0.777453 -1.879302 -1.842511
H 5.727227 -1.430806 0.353352
H 5.543100 -1.336409 -1.409785
H -4.569128 -2.186257 1.765022
H -2.918246 -3.023465 1.549922
H -3.410302 -3.230475 -0.965796
H -5.000829 -2.325186 -0.705627
H -1.969674 1.297795 -1.266328
H -1.558896 2.366961 0.098302
H -1.459308 -2.981686 -0.992266
H 2.513673 0.045486 2.335663
H 4.152488 -0.610530 2.070303
H 3.937326 1.119889 2.369384
H -3.468378 1.596373 1.413724
H -2.170024 -0.087602 2.386696
H -0.423262 -0.378201 2.451360
H -1.043155 1.298466 2.398652
H 5.949498 0.990910 -2.062838
H 4.206060 0.800408 -2.408624
H 4.790484 2.253969 -1.550775
H 5.816917 1.917430 0.625004


