%chk=000176568.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176568

0 1
 O    3.017500       2.169400      0.1801000    
 O    2.986800      -3.598200      0.1066000    
 O    4.190900      0.6450000      -1.011600    
 O    4.422800      -1.894200     -0.2874000    
 N   0.1176000     -0.8345000      0.3032000    
 N   0.9165000      -1.914900      0.2783000    
 N   -4.360300      -1.545500      -1.378100    
 C   0.7716000      0.3449000      8.3999999E-02
 C    2.093400      6.6999998E-03 -9.6199997E-02
 C   -1.248800     -0.9967000      0.5389000    
 C   0.1283000       1.636200      6.2700003E-02
 C    2.122300      -1.394700      3.3900000E-02
 C   -2.110400      -1.189500     -0.5327000    
 C   -1.727000     -0.9616000       1.841900    
 C   -3.475700      -1.350300     -0.2968000    
 C  -0.3739000       2.145500      -1.134800    
 C   8.2999999E-03   2.375100       1.239600    
 C   -3.092400      -1.122200       2.077600    
 C    3.171400      0.9153000     -0.3571000    
 C   -3.966700      -1.316600       1.008300    
 C    3.260500      -2.264900     -6.5099999E-02
 C  -0.9963000       3.393600      -1.155300    
 C  -0.6141000       3.623300       1.219000    
 C   -1.116400       4.132600      2.1600001E-02
 C   -4.126000      -1.003700      -2.680600    
 H   -1.708200      -1.220800      -1.542100    
 H   -1.055900     -0.8105000       2.683600    
 H  -0.2888000       1.581800      -2.060900    
 H   0.3942000       1.992300       2.181500    
 H   -3.474800      -1.095500       3.093800    
 H   -5.028500      -1.439600       1.205800    
 H   -1.387700       3.790000      -2.087600    
 H  -0.7078000       4.198600       2.135400    
 H   -5.316800      -1.782800      -1.135500    
 H   -1.601200       5.104400      5.5999998E-03
 H   -3.910300      6.9100000E-02  -2.636600    
 H   -5.018600      -1.136000      -3.300600    
 H   -3.302300      -1.516800      -3.186800    
 H    3.781100       2.748500     -2.9400000E-02
 H    3.796700      -4.146400      2.9100001E-02


%chk=000176568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176568

0 1
O 3.534749 1.707766 0.957759
O 2.507648 -3.325349 -1.445096
O 4.135609 0.783953 -1.084724
O 4.113206 -2.184473 -0.208568
N -0.114125 -0.481830 0.012196
N 0.561711 -1.639116 -0.359934
N -4.414246 -2.344303 -1.402574
C 0.746496 0.609098 0.210595
C 2.046060 0.110756 -0.039764
C -1.545692 -0.567883 0.192600
C 0.264939 1.991621 0.440004
C 1.874042 -1.268950 -0.398967
C -2.264845 -1.390845 -0.699429
C -2.176877 0.117668 1.254099
C -3.672824 -1.534857 -0.545971
C -0.698574 2.556919 -0.440607
C 0.757509 2.771173 1.518594
C -3.577160 -0.022361 1.392139
C 3.316347 0.860399 -0.142692
C -4.322478 -0.827777 0.514126
C 2.943879 -2.259444 -0.651654
C -1.160599 3.873879 -0.242776
C 0.286352 4.087583 1.717325
C -0.672825 4.643441 0.840009
C -3.832460 -3.111341 -2.501841
H -1.718053 -1.923212 -1.480461
H -1.602217 0.727036 1.954665
H -1.076827 1.966221 -1.281961
H 1.507890 2.343654 2.188477
H -4.089289 0.499285 2.207934
H -5.407549 -0.924600 0.644315
H -1.898259 4.299187 -0.931776
H 0.670283 4.677725 2.556635
H -5.417311 -2.409448 -1.242802
H -1.034999 5.665813 0.995427
H -3.345638 -2.455153 -3.251783
H -4.629745 -3.676011 -3.012296
H -3.075390 -3.837456 -2.143308
H 4.390356 2.196319 0.808807
H 3.261905 -3.968689 -1.541420


