%chk=000163997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163997

0 1
 O   -3.739600     -0.5708000       1.761300    
 O   -4.920200      6.4099997E-02 -6.8899997E-02
 N   0.3870000     -0.7076000     -0.4057000    
 N   -2.835200     -4.4300001E-02  -1.722900    
 C  -0.1933000      0.6295000     -0.5215000    
 C   0.8549000       1.624700      4.3800000E-02
 C   -1.517100      0.6939000      0.2228000    
 C    2.089000      0.7823000      7.2800003E-02
 C    1.753800     -0.5451000     -0.2017000    
 C   -2.545500     -0.3086000     -0.3137000    
 C    3.389800       1.158500      0.3579000    
 C    2.717800      -1.537100     -0.1628000    
 C   -3.851400     -0.2345000      0.4515000    
 C    4.372100      0.1672000      0.3713000    
 C    4.037900      -1.172200      0.1159000    
 H  -0.3366000      0.8550000      -1.586400    
 H   0.6050000       1.959100       1.056400    
 H   0.9667000       2.492900     -0.6129000    
 H   -1.922400       1.713300      0.1669000    
 H   -1.350300      0.4945000       1.290100    
 H   1.2600000E-02  -1.519800     -0.8760000    
 H   -2.184100      -1.338700     -0.2243000    
 H    3.642700       2.190800      0.5731000    
 H    2.463900      -2.575900     -0.3462000    
 H    5.402900      0.4310000      0.5915000    
 H   -3.219400      0.8934000      -1.831400    
 H   -3.545900     -0.6924000      -2.059700    
 H    4.813300      -1.933100      0.1422000    
 H   -4.603500     -0.5313000       2.224300    


%chk=000163997-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163997

0 1
O -3.969681 -0.240390 1.791576
O -4.987407 0.062039 -0.275842
N 0.329786 -0.581359 -0.428129
N -2.512721 -0.585416 -1.621105
C -0.246276 0.794584 -0.422935
C 0.843723 1.644983 0.312767
C -1.639882 0.846044 0.243596
C 2.103667 0.794593 0.178634
C 1.725233 -0.510939 -0.252304
C -2.535118 -0.361092 -0.166552
C 3.446991 1.091614 0.447469
C 2.692015 -1.527385 -0.422511
C -3.952685 -0.157051 0.392675
C 4.431777 0.079890 0.275226
C 4.048054 -1.212294 -0.154878
H -0.343890 1.146141 -1.472650
H 0.573655 1.770639 1.381388
H 0.945833 2.653934 -0.123142
H -2.135201 1.799830 -0.030596
H -1.538075 0.827120 1.343289
H -0.087778 -1.227134 -1.104299
H -2.107950 -1.252499 0.329808
H 3.740539 2.094656 0.780032
H 2.407224 -2.532977 -0.751699
H 5.486051 0.301219 0.472671
H -2.857412 0.226033 -2.150003
H -3.031187 -1.426400 -1.902710
H 4.812063 -1.987679 -0.286814
H -4.896448 -0.091904 2.124737


