%chk=000217145.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217145

0 1
O -3.967414 -1.175372 1.676876
O 0.294270 -2.929226 -0.010072
O 4.712354 -1.018727 -0.059630
O 5.002770 1.487313 0.126110
N -0.181864 -0.644446 -0.030707
N -4.433079 0.749727 0.553448
N -7.026711 1.343162 -0.587174
C -2.591598 -0.752481 -0.261690
C -1.401254 0.218568 -0.043324
C -2.019016 -2.161289 -0.042709
C -3.729625 -0.458358 0.718230
C -0.508429 -2.022084 -0.020613
C -5.618989 0.985474 1.429590
C -4.557900 1.450307 -0.751163
C -6.929372 0.605818 0.710822
C -5.861405 1.045078 -1.475059
C 1.123867 -0.059549 0.025489
C 2.262383 -0.901345 -0.046499
C 1.275503 1.324540 0.141121
C 3.528758 -0.340043 -0.003132
C 2.564595 1.893541 0.179010
C 3.686854 1.085229 0.108028
C 4.651470 -2.484573 -0.145162
C 5.259846 2.917227 0.300844
C 6.114836 -2.878065 -0.162802
C 6.775064 2.987300 0.308584
H -2.967971 -0.666819 -1.308611
H -1.334073 0.967375 -0.859472
H -1.490015 0.768014 0.921163
H -2.366473 -2.598119 0.926670
H -2.335849 -2.878851 -0.819777
H -5.509676 0.396742 2.370523
H -5.625999 2.064640 1.703234
H -4.575805 2.547729 -0.540696
H -3.679271 1.260166 -1.398130
H -7.795830 0.914929 1.336814
H -6.988220 -0.498378 0.595928
H -5.977915 1.655297 -2.398074
H -5.807586 -0.018743 -1.790143
H -7.894878 1.075724 -1.065447
H 2.128222 -1.984069 -0.127378
H 0.424988 1.993238 0.211813
H 2.652380 2.972995 0.266975
H 4.119105 -2.756826 -1.072445
H 4.112167 -2.864171 0.739862
H 4.812182 3.243003 1.255018
H 4.811308 3.461065 -0.547586
H 6.631041 -2.526289 0.741836
H 6.638363 -2.422982 -1.015458
H 6.234832 -3.965026 -0.225731
H 7.193902 2.589074 -0.626617
H 7.194209 2.373781 1.119107
H 7.129844 4.014974 0.435506


%chk=000217145-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217145

0 1
O -4.004859 -0.993219 2.062467
O 0.361663 -3.040793 0.235540
O 4.772877 -1.053934 -0.244436
O 5.064193 1.563236 0.122352
N -0.143070 -0.708755 0.279681
N -4.640924 0.515864 0.413070
N -6.932258 1.541368 -0.930835
C -2.537506 -0.830334 0.113713
C -1.350756 0.139180 0.412806
C -1.971197 -2.214138 0.488829
C -3.787940 -0.453138 0.929749
C -0.457183 -2.080840 0.314463
C -5.842465 0.916604 1.187435
C -4.492684 1.251556 -0.862920
C -7.105844 0.763690 0.316974
C -5.769426 1.090173 -1.720225
C 1.160793 -0.120521 0.252706
C 2.314329 -0.921257 0.014751
C 1.316303 1.270060 0.458465
C 3.594730 -0.336448 -0.020820
C 2.603673 1.854547 0.419710
C 3.752652 1.073894 0.179829
C 4.652507 -2.514713 -0.442739
C 5.253902 3.009758 0.335554
C 6.068439 -3.043769 -0.651239
C 6.752571 3.275820 0.221242
H -2.745358 -0.813702 -0.970351
H -1.312032 0.983459 -0.298998
H -1.422522 0.551116 1.439575
H -2.208825 -2.442956 1.545197
H -2.356814 -3.039301 -0.130115
H -5.888724 0.280754 2.085427
H -5.736557 1.976074 1.493055
H -4.355781 2.329041 -0.640988
H -3.613635 0.898139 -1.422083
H -7.977094 1.157817 0.870123
H -7.275324 -0.325011 0.130209
H -5.679742 1.715602 -2.627062
H -5.843898 0.020183 -2.039816
H -7.792718 1.617562 -1.485487
H 2.177368 -1.994803 -0.119063
H 0.457193 1.912880 0.667386
H 2.694710 2.931705 0.585648
H 4.010059 -2.715100 -1.324369
H 4.174837 -2.969753 0.448503
H 4.869906 3.290507 1.338842
H 4.683916 3.576042 -0.430985
H 6.698319 -2.824771 0.227697
H 6.533235 -2.575160 -1.535461
H 6.043796 -4.138275 -0.803646
H 7.123051 2.983439 -0.775917
H 7.307035 2.696517 0.978824
H 6.961976 4.350299 0.375034


