%chk=000198031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198031

0 1
O 8.908189 0.580213 -0.650897
N -1.645121 -0.140331 0.472516
N 1.102951 -0.497489 1.365366
N 2.582119 -2.068725 0.393424
N 5.217147 0.928980 -0.569977
N 3.248558 1.652856 0.356613
N 4.784313 -1.532456 -0.523345
C -0.614382 0.931584 0.253126
C -0.988858 -1.491842 0.423964
C -2.745121 -0.043391 -0.558598
C 0.454524 0.843272 1.360097
C 0.085239 -1.579636 1.525749
C -3.425088 1.317099 -0.488291
C -3.800287 -1.113874 -0.315765
C 2.263773 -0.745994 0.655364
C 3.225833 0.250448 0.280783
C -3.724090 1.991865 -1.681073
C -4.310369 -1.828696 -1.409476
C -3.777307 1.892915 0.741295
C -4.285353 -1.379239 0.973373
C 4.463258 -0.215857 -0.296547
C -4.369739 3.231210 -1.641271
C -5.296906 -2.799482 -1.212553
C -4.419930 3.132636 0.776056
C -5.269238 -2.351931 1.165407
C 4.429006 2.041248 -0.139338
C 6.574672 0.951400 -1.128024
C 3.795001 -2.387103 -0.154103
C -4.717884 3.804102 -0.414436
C -5.777359 -3.063602 0.073491
C 7.614125 0.585648 -0.046095
H -1.115528 1.923819 0.315730
H -0.133466 0.877867 -0.747142
H -0.536719 -1.722731 -0.564952
H -1.763425 -2.268595 0.613063
H -2.320640 -0.182297 -1.593161
H 1.199185 1.663457 1.246730
H -0.016084 0.982415 2.362244
H -0.375930 -1.449358 2.531656
H 0.567714 -2.584268 1.513296
H -3.461467 1.553763 -2.641764
H -3.946666 -1.628991 -2.415296
H -3.541090 1.367885 1.668166
H -3.884908 -0.824318 1.823205
H -4.602428 3.750089 -2.569544
H -5.691942 -3.349996 -2.064604
H -4.691610 3.575548 1.732750
H -5.642963 -2.554234 2.167719
H 4.778930 3.059834 -0.229855
H 6.636816 0.222559 -1.973275
H 6.798575 1.954936 -1.554206
H 3.978018 -3.463396 -0.315707
H -5.220632 4.768472 -0.385521
H -6.545400 -3.819177 0.224638
H 7.696854 1.363820 0.735941
H 7.395632 -0.392998 0.419801
H 9.038198 -0.237036 -1.176947


%chk=000198031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198031

0 1
O 9.228791 0.602700 0.173894
N -1.715595 -0.103327 0.107660
N 1.104317 -0.484062 0.613505
N 2.825054 -2.081384 0.370343
N 5.519015 0.858855 -0.506403
N 3.401412 1.638443 -0.110641
N 5.157270 -1.563752 -0.188936
C -0.716282 0.926336 -0.293874
C -1.095150 -1.453004 0.005096
C -2.990803 0.017228 -0.665715
C 0.519053 0.874109 0.623821
C 0.133027 -1.554060 0.928048
C -3.655020 1.386278 -0.436824
C -3.979455 -1.101865 -0.298446
C 2.420442 -0.756946 0.339103
C 3.420649 0.229911 0.022252
C -4.367868 2.005091 -1.491753
C -4.592802 -1.870642 -1.316014
C -3.623160 2.020099 0.830899
C -4.323400 -1.357778 1.053616
C 4.736053 -0.264598 -0.219762
C -5.043558 3.229505 -1.287240
C -5.536604 -2.874197 -0.995430
C -4.292390 3.245715 1.037572
C -5.258900 -2.362714 1.377868
C 4.666733 1.967457 -0.421554
C 6.961261 0.830907 -0.790581
C 4.122211 -2.404474 0.113327
C -5.009078 3.854506 -0.019661
C -5.872879 -3.123794 0.353998
C 7.796896 0.593477 0.491491
H -1.173085 1.926903 -0.217516
H -0.391869 0.779131 -1.355094
H -0.782213 -1.676950 -1.045974
H -1.830335 -2.216201 0.308658
H -2.786470 -0.074822 -1.764645
H 1.274698 1.608113 0.304108
H 0.202374 1.114789 1.659450
H -0.195890 -1.439187 1.980732
H 0.641736 -2.522708 0.811067
H -4.399425 1.524173 -2.477763
H -4.329145 -1.686785 -2.365251
H -3.052881 1.551153 1.640657
H -3.845896 -0.771749 1.846241
H -5.591806 3.695256 -2.114038
H -6.002703 -3.460940 -1.795086
H -4.255793 3.726855 2.021775
H -5.513692 -2.551710 2.427017
H 5.019654 2.980601 -0.602382
H 7.155556 0.016886 -1.513125
H 7.255756 1.788233 -1.253709
H 4.363887 -3.471123 0.157309
H -5.530357 4.804885 0.141124
H -6.602194 -3.901760 0.606221
H 7.654329 1.422510 1.203687
H 7.483619 -0.355146 0.969374
H 9.473604 -0.251530 -0.262697


