%chk=000165622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165622

1 1
 O  -0.8360000       1.058500      -1.110700    
 O   -4.049100      0.1075000      0.1371000    
 O   -5.323500       1.636700      -1.016800    
 N    1.123200      6.4000003E-02  0.5113000    
 N   -2.132900       1.780300      0.6769000    
 C    2.199400      0.8306000      0.2647000    
 C    1.082200      -1.255300      0.2575000    
 C    3.358300      0.2453000     -0.2567000    
 C    2.213100      -1.892600     -0.2643000    
 C    2.114000       2.282600      0.6225000    
 C  -0.1746000      -1.990800      0.6082000    
 C    4.573400       1.073900     -0.5798000    
 C    2.197400      -3.361300     -0.5962000    
 C    3.204500       3.116400     -4.8300002E-02
 C  -0.2620000      -3.358000     -6.8300001E-02
 C    4.564800       2.442000      0.1050000    
 C    1.053500      -4.116200      8.3899997E-02
 C    3.347500      -1.123600     -0.5335000    
 C  -5.3399999E-02  0.6919000       1.138600    
 C   -1.023800       1.183900      9.6199997E-02
 C   -3.222400       2.336500     -9.2100002E-02
 C   -4.317600       1.337100     -0.3818000    
 C   -5.043100     -0.8961000     -9.5500000E-02
 C   -4.592900      -2.193200      0.5422000    
 H    2.222100       2.384700       1.709300    
 H    1.164300       2.730500      0.3160000    
 H   -1.074600      -1.449000      0.3048000    
 H  -0.2016000      -2.143000       1.694200    
 H    4.609500       1.214900      -1.667300    
 H    5.482300      0.5365000     -0.2844000    
 H    3.148300      -3.821600     -0.3028000    
 H    2.100800      -3.463300      -1.684400    
 H    2.977800       3.241200      -1.115000    
 H    3.228200       4.118500      0.3945000    
 H  -0.4904000      -3.234100      -1.134700    
 H   -1.083400      -3.935300      0.3711000    
 H    5.350200       3.073100     -0.3257000    
 H    4.795700       2.325000       1.171500    
 H    1.277400      -4.248000       1.150200    
 H   0.9648000      -5.117900     -0.3513000    
 H    4.229100      -1.594200     -0.9635000    
 H   0.2387000       1.507000       1.805200    
 H  -0.5482000     -3.0000000E-03   1.822400    
 H   -2.203700       1.815700       1.689800    
 H   -2.835000       2.712200      -1.043700    
 H   -3.645600       3.156800      0.4941000    
 H   -5.993800     -0.5772000      0.3460000    
 H   -5.172200      -1.039200      -1.174100    
 H   -4.435900      -2.060000       1.617700    
 H   -3.636300      -2.517900      0.1197000    
 H   -5.333200      -2.983000      0.3877000    


%chk=000165622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165622

1 1
O -0.472663 2.027795 -0.826229
O -4.188899 -0.209513 0.160124
O -5.321551 1.165749 -1.353826
N 1.201506 0.252256 0.633959
N -2.232911 1.515534 0.624006
C 2.351840 0.984575 0.337484
C 1.030265 -1.089464 0.282023
C 3.436964 0.313812 -0.279964
C 2.104783 -1.771252 -0.333685
C 2.412382 2.460180 0.693243
C -0.293867 -1.771628 0.584624
C 4.735396 1.035513 -0.610137
C 2.002966 -3.240913 -0.717108
C 3.606395 3.190634 0.032235
C -0.445339 -3.133435 -0.135718
C 4.902636 2.366879 0.148429
C 0.840789 -3.973289 -0.017456
C 3.291951 -1.053021 -0.592911
C 0.066844 0.947549 1.309790
C -0.910124 1.540483 0.256679
C -3.293732 2.006961 -0.262008
C -4.374747 0.966184 -0.570167
C -5.238897 -1.272737 -0.041222
C -4.821694 -2.480609 0.787462
H 2.495307 2.564093 1.796736
H 1.476092 2.953296 0.377659
H -1.143398 -1.122537 0.300644
H -0.371788 -1.937063 1.680923
H 4.753373 1.233249 -1.701255
H 5.584972 0.357359 -0.407362
H 2.966650 -3.736722 -0.497596
H 1.868832 -3.305500 -1.816055
H 3.378093 3.378571 -1.034085
H 3.721869 4.177538 0.513326
H -0.681350 -2.964707 -1.203885
H -1.305700 -3.668767 0.303766
H 5.755034 2.927936 -0.272144
H 5.136311 2.175956 1.214109
H 1.082508 -4.145876 1.049480
H 0.696646 -4.965637 -0.478775
H 4.133628 -1.578115 -1.061402
H 0.467887 1.769500 1.920310
H -0.430554 0.245242 1.994307
H -2.529172 1.002527 1.457485
H -2.829902 2.332636 -1.209160
H -3.800003 2.890272 0.171420
H -6.207652 -0.850787 0.278390
H -5.294225 -1.491185 -1.121774
H -4.755879 -2.229617 1.860038
H -3.848204 -2.879644 0.451164
H -5.574370 -3.280761 0.671511


