%chk=000158853.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158853

0 1
 O    1.602700      -1.959700      7.6399997E-02
 O    4.156600      -1.977600     -0.5624000    
 O    5.327600     -0.3371000      0.5185000    
 N   -3.180700     -0.1731000      1.4500000E-02
 N    1.932000       2.076600     -6.4800002E-02
 C   0.4840000      0.1276000      3.7000000E-03
 C   0.6457000       1.525200     -4.5100000E-02
 C   -1.914300      0.3829000     -4.9999999E-03
 C  -0.7912000     -0.4434000      2.3499999E-02
 C  -0.4909000       2.339400     -7.3100001E-02
 C   -1.765300       1.769300     -5.2999999E-02
 C    1.695000     -0.7393000      3.3000000E-02
 C    3.022600     -5.8800001E-02  8.1000002E-03
 C    3.042800       1.279700     -3.8199998E-02
 C   -4.364800      0.5293000     -9.7000003E-03
 C   -3.464300      -1.519900      5.8400001E-02
 C   -5.403000     -0.3755000      2.0000000E-02
 C   -4.833200      -1.671900      6.2899999E-02
 C    4.298600     -0.7737000      3.2200001E-02
 H  -0.8593000      -1.524200      6.1099999E-02
 H  -0.3917000       3.421500     -0.1107000    
 H   -2.598100       2.463300     -7.7000000E-02
 H    2.052300       3.079800     -0.1009000    
 H    3.961100       1.855600     -6.2199999E-02
 H   -4.423300       1.607300     -4.5299999E-02
 H   -2.710600      -2.293100      8.3899997E-02
 H   -6.455100     -0.1276000      1.1400000E-02
 H   -5.362300      -2.614000      9.3500003E-02
 H    4.994200      -2.488200     -0.5656000    


%chk=000158853-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158853

0 1
O 1.531758 -2.049577 0.131922
O 4.312844 -2.140415 0.119679
O 5.443377 -0.127040 -0.014526
N -3.236652 -0.171526 0.002578
N 1.956001 2.081658 -0.170490
C 0.514576 0.127910 -0.025962
C 0.657150 1.540753 -0.128162
C -1.928877 0.394433 -0.037318
C -0.784593 -0.426141 0.028961
C -0.487588 2.375656 -0.188001
C -1.767553 1.807091 -0.152335
C 1.704734 -0.793409 0.039837
C 3.012929 -0.101163 -0.014272
C 3.069367 1.289819 -0.115867
C -4.409051 0.487640 0.423139
C -3.573738 -1.487148 -0.369581
C -5.472987 -0.408036 0.319900
C -4.946046 -1.653515 -0.187130
C 4.346011 -0.754495 0.028110
H -0.850969 -1.512713 0.143279
H -0.376353 3.462752 -0.278592
H -2.646319 2.452440 -0.238816
H 2.063215 3.094749 -0.244265
H 4.045422 1.783239 -0.154745
H -4.382261 1.502773 0.811434
H -2.828282 -2.170418 -0.768721
H -6.506832 -0.197354 0.588995
H -5.507359 -2.561318 -0.401992
H 5.255176 -2.466246 0.141043


