%chk=000171521.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171521

0 1
 O    1.858100       2.468900      9.9699996E-02
 O   -3.779600      -1.951400       1.726200    
 N    1.330200      0.9133000      -2.215200    
 C   0.2987000      0.6108000      0.5373000    
 C   0.5055000       2.017700     -0.1274000    
 C    1.338100     -0.4040000     -0.1073000    
 C   0.3259000       1.834000      -1.656800    
 C    1.252000      -1.844700      0.4175000    
 C   0.5952000      0.7762000       2.056700    
 C    2.413200      -2.676400     -8.2300000E-02
 C    1.274100     -0.4272000      -1.644500    
 C   -1.133500      0.1268000      0.2344000    
 C   -1.107800       1.385200      -2.007300    
 C    2.492100      -4.099200      0.3396000    
 C    2.135600      -3.747100      -1.074900    
 C  -0.4598000       3.131700      0.3649000    
 C   -1.759900      0.4710000     -0.9888000    
 C    1.955200       1.423400       2.325400    
 C    2.210700       2.655900       1.469200    
 C   -1.839400     -0.6930000       1.133500    
 C   -3.052500     -2.7000001E-03  -1.272200    
 C   -3.123000      -1.156500      0.8371000    
 C   -3.728900     -0.8125000     -0.3648000    
 H    2.347500     -4.3800000E-02  0.1320000    
 H   0.5116000       2.792000      -2.160000    
 H   0.3007000      -2.310400      0.1367000    
 H    1.303500      -1.853100       1.510400    
 H   0.5631000     -0.1782000       2.591300    
 H  -0.1847000       1.389400       2.526000    
 H    3.352300      -2.139100     -0.1255000    
 H    2.127700     -0.9786000      -2.054200    
 H   0.3868000     -0.9606000      -2.003500    
 H   -1.123600      0.9039000      -2.994100    
 H   -1.736000       2.281800      -2.096100    
 H    2.255500       1.304400      -2.033900    
 H    1.709100      -4.502000      0.9702000    
 H    3.472800      -4.521900      0.5206000    
 H    2.878500      -3.927700      -1.842400    
 H    1.116200      -3.922600      -1.395400    
 H  -0.2013000       4.084900     -0.1119000    
 H   -1.512300       2.928600      0.1536000    
 H  -0.3920000       3.307000       1.441700    
 H    2.043800       1.684000       3.386300    
 H    2.743000      0.6863000       2.131100    
 H    1.690000       3.530600       1.871300    
 H    3.277700       2.902100       1.499500    
 H   -1.393700     -0.9981000       2.076000    
 H   -3.539900      0.2667000      -2.206300    
 H   -4.727300      -1.166000     -0.6073000    
 H   -4.651500      -2.180400       1.360900    


%chk=000171521-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171521

0 1
O 1.888661 2.502081 0.043437
O -3.713995 -1.984540 1.857722
N 1.324531 0.936616 -2.268952
C 0.300774 0.632122 0.535895
C 0.481258 2.042033 -0.149975
C 1.343696 -0.393481 -0.101208
C 0.330149 1.871515 -1.689720
C 1.233526 -1.831695 0.473441
C 0.592862 0.815167 2.058723
C 2.402347 -2.733163 0.075801
C 1.260217 -0.410589 -1.652379
C -1.129766 0.143539 0.245076
C -1.113363 1.413026 -2.018936
C 2.295551 -4.253256 0.263195
C 2.321198 -3.654649 -1.153374
C -0.489470 3.132694 0.357240
C -1.754092 0.468741 -1.000043
C 1.997725 1.421458 2.311394
C 2.256861 2.683446 1.460174
C -1.824293 -0.673885 1.167897
C -3.041144 -0.050442 -1.276294
C -3.106772 -1.178167 0.871976
C -3.727689 -0.875107 -0.361433
H 2.349836 -0.000203 0.147221
H 0.510433 2.858009 -2.157490
H 0.282688 -2.295864 0.142571
H 1.190561 -1.796794 1.580444
H 0.524658 -0.145696 2.599415
H -0.186494 1.466096 2.498855
H 3.391377 -2.298900 0.277960
H 2.090655 -1.014298 -2.057312
H 0.322604 -0.905604 -1.971904
H -1.087143 0.943510 -3.020643
H -1.759133 2.308443 -2.114317
H 2.266754 1.338505 -2.148683
H 1.343320 -4.651306 0.629395
H 3.174767 -4.804779 0.608988
H 3.219191 -3.801940 -1.761378
H 1.386570 -3.657674 -1.723496
H -0.342166 4.050830 -0.240426
H -1.540567 2.814519 0.262080
H -0.325623 3.393910 1.416104
H 2.100642 1.687082 3.382127
H 2.774674 0.664599 2.097774
H 1.711267 3.552310 1.884052
H 3.330835 2.936560 1.434716
H -1.387263 -0.937712 2.134563
H -3.520074 0.201679 -2.230620
H -4.724806 -1.265642 -0.602994
H -4.608639 -2.283705 1.560339


