%chk=000171684.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171684

0 1
 O   -2.125500     -0.3649000     -0.3637000    
 O    2.386100      -1.615200      -1.002700    
 O   -2.401400      -2.445500      0.5447000    
 N   -5.226000       1.633800     -0.4052000    
 N  -0.3279000      -1.717500     -0.2736000    
 C   -5.601400       1.608200       1.008100    
 C   -5.567900       2.979700     -0.8645000    
 C   -6.941400       2.329000       1.018500    
 C   -6.920800       3.227700     -0.2142000    
 C   -3.821000       1.316100     -0.6128000    
 C   -3.510700     -8.9800000E-02 -0.1245000    
 C    4.446900       2.781200     -0.2206000    
 C    4.520700       1.282500      7.9099998E-02
 C    5.553300       3.593100      0.4587000    
 C    3.410100      0.5189000     -0.6409000    
 C    5.523900       5.079600      0.1005000    
 C    3.448700     -0.9677000     -0.3166000    
 C   -1.682700      -1.601800      2.3100000E-02
 C    6.683300       5.827100      0.7420000    
 C    1.866900      -2.740600     -0.4173000    
 C   0.5223000      -2.803300     -5.1100001E-02
 C    2.703500      -3.833200     -0.1885000    
 C   1.4500000E-02  -3.958400      0.5435000    
 C    2.195600      -4.988300      0.4059000    
 C   0.8511000      -5.050800      0.7720000    
 H   -5.717200      0.5942000       1.403200    
 H   -4.882500       2.153200       1.633400    
 H   -4.845100       3.726300     -0.5111000    
 H   -5.627900       3.041300      -1.955600    
 H   -7.770000       1.615100      0.9424000    
 H   -7.079100       2.906400       1.938400    
 H   -7.052400       4.281800      5.0000001E-02
 H   -7.735800       2.946400     -0.8914000    
 H   -3.577200       1.377400      -1.681200    
 H   -3.158400       2.034200     -0.1111000    
 H   -3.687200     -0.1895000      0.9518000    
 H   -4.121200     -0.8250000     -0.6627000    
 H    3.471400       3.169200      9.8099999E-02
 H    4.508400       2.932900      -1.305600    
 H    4.438900       1.123800       1.161000    
 H    5.497200      0.8925000     -0.2326000    
 H    5.467900       3.478600       1.546500    
 H    6.526300       3.174400      0.1726000    
 H    3.493900      0.6580000      -1.725900    
 H    2.429200      0.9237000     -0.3614000    
 H    5.577000       5.200700     -0.9876000    
 H    4.577200       5.521800      0.4312000    
 H    3.356100      -1.108600      0.7681000    
 H    4.400100      -1.400800     -0.6459000    
 H    7.644200       5.428100      0.4016000    
 H    6.642900       6.888100      0.4764000    
 H    6.644900       5.748100       1.833100    
 H   0.1012000     -0.9045000     -0.7094000    
 H    3.750900      -3.803200     -0.4760000    
 H   -1.012500      -4.085500      0.8550000    
 H    2.846400      -5.839800      0.5821000    
 H   0.4569000      -5.951100       1.234500    


%chk=000171684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171684

0 1
O -2.360846 -0.292009 -0.322342
O 2.001768 -1.040213 0.134190
O -2.693273 -2.621886 -0.118550
N -5.548162 1.657749 -0.303955
N -0.552967 -1.607463 -0.028654
C -6.570098 0.906624 0.478389
C -5.877374 3.093373 -0.110623
C -7.874985 1.746178 0.333864
C -7.413181 3.116067 -0.265075
C -4.147210 1.307291 -0.010330
C -3.818092 -0.099367 -0.525659
C 4.947050 2.987028 -0.025554
C 4.896323 1.448802 0.112382
C 6.382224 3.557477 0.029452
C 3.453671 0.894615 0.051986
C 6.430373 5.096827 -0.102107
C 3.415275 -0.627061 0.203247
C -1.928043 -1.624690 -0.150993
C 7.866791 5.660922 -0.051862
C 1.702351 -2.413228 0.249040
C 0.307725 -2.715725 0.160719
C 2.650176 -3.438308 0.434234
C -0.117296 -4.060135 0.261869
C 2.213474 -4.781845 0.533958
C 0.838721 -5.086064 0.448043
H -6.683064 -0.121417 0.091632
H -6.274485 0.832162 1.556463
H -5.584502 3.456809 0.908972
H -5.353576 3.715998 -0.857906
H -8.601400 1.251922 -0.332953
H -8.362415 1.876011 1.315988
H -7.869750 3.980498 0.247648
H -7.677365 3.172333 -1.335022
H -3.488476 2.031353 -0.524644
H -3.912503 1.359852 1.083988
H -4.361189 -0.895425 0.012849
H -4.040613 -0.178030 -1.604867
H 4.338569 3.446445 0.781080
H 4.470395 3.284674 -0.982646
H 5.370377 1.153350 1.071647
H 5.506775 0.990097 -0.693324
H 6.862087 3.257580 0.984652
H 6.990978 3.102976 -0.780196
H 2.983538 1.172592 -0.910940
H 2.841576 1.350144 0.854214
H 5.946991 5.395670 -1.054664
H 5.824771 5.550394 0.708992
H 3.841884 -0.941721 1.178312
H 3.982157 -1.124888 -0.610765
H 8.484035 5.247694 -0.871954
H 7.873503 6.762349 -0.146541
H 8.361853 5.400914 0.902911
H -0.092901 -0.693800 -0.083202
H 3.716983 -3.206442 0.501009
H -1.184136 -4.283028 0.192941
H 2.950089 -5.579344 0.677602
H 0.500120 -6.124582 0.524856


