%chk=000199335.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199335

0 1
O -3.334932 2.018805 -0.314889
O 5.524099 0.215644 0.383326
O -0.707161 1.573985 1.067196
N -4.770248 -1.147142 -0.457956
N -2.317891 0.049454 0.334829
N -0.017018 -0.347632 -0.048748
C -4.816505 0.186300 0.236030
C -5.084149 0.081191 1.736761
C -3.438089 0.872057 0.050929
C -4.780391 -0.944820 -1.940722
C -5.899337 -2.038071 -0.060196
C 1.407041 -0.193323 0.063984
C -0.967954 0.542943 0.492596
C 2.209161 -1.224275 -0.453011
C 1.999976 0.939051 0.665719
C 4.177127 -0.013892 0.227497
C 3.603063 -1.138529 -0.373985
C 3.380098 1.029615 0.749849
C 6.457819 -0.790025 -0.125088
C 7.813014 -0.201298 0.214855
H -5.577774 0.877556 -0.221243
H -4.884106 1.040016 2.238503
H -6.129169 -0.174696 1.946694
H -4.450350 -0.673962 2.219563
H -4.637652 -1.920000 -2.433710
H -5.700241 -0.490558 -2.338849
H -3.930983 -0.307400 -2.237124
H -5.766139 -2.342966 0.990547
H -6.899292 -1.593821 -0.172473
H -5.863931 -2.959562 -0.664467
H -2.491662 -0.960817 0.430004
H -0.333058 -1.144850 -0.602492
H 1.761116 -2.099414 -0.919732
H 1.372981 1.747250 1.064265
H 4.209724 -1.941664 -0.778336
H 3.864459 1.890790 1.208930
H 6.298328 -0.897315 -1.211534
H 6.262339 -1.742818 0.395669
H 8.628213 -0.855978 -0.111622
H 7.950445 0.780552 -0.260325
H 7.915930 -0.038881 1.297257


%chk=000199335-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199335

0 1
O -3.778954 2.271090 0.936590
O 5.494803 0.206237 0.083873
O -0.814510 2.148501 0.470060
N -4.464627 -1.002159 -0.550699
N -2.426437 0.415038 0.300506
N -0.163104 -0.111485 0.269256
C -4.843807 0.121781 0.368241
C -5.284817 -0.334436 1.777575
C -3.627934 1.087192 0.550196
C -4.481839 -0.548159 -1.969329
C -5.230262 -2.262473 -0.391001
C 1.258269 -0.002875 0.224148
C -1.099161 0.929522 0.361032
C 2.005523 -1.202908 0.123778
C 1.949966 1.240022 0.276138
C 4.097974 0.056809 0.124175
C 3.415703 -1.183984 0.074548
C 3.354024 1.258257 0.223929
C 6.312276 -1.017789 -0.003428
C 7.772720 -0.573739 -0.017335
H -5.660629 0.738940 -0.069316
H -5.434260 0.562343 2.402099
H -6.235527 -0.893445 1.747546
H -4.514004 -0.963358 2.258956
H -4.057593 -1.334832 -2.617588
H -5.511688 -0.315574 -2.326041
H -3.866371 0.360949 -2.082152
H -5.122411 -2.656981 0.631160
H -6.316993 -2.145096 -0.611311
H -4.821613 -3.013716 -1.090052
H -2.643964 -0.549129 -0.040181
H -0.525121 -1.067506 0.268598
H 1.485357 -2.169342 0.082473
H 1.381688 2.167482 0.362299
H 3.958244 -2.130479 -0.001835
H 3.898146 2.206877 0.264211
H 6.052255 -1.572392 -0.929399
H 6.098305 -1.669051 0.869776
H 8.438064 -1.453776 -0.084591
H 7.970814 0.082708 -0.881687
H 8.018397 -0.017562 0.903282


