%chk=000216498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216498

0 1
O 1.008184 1.456877 1.897789
N 3.313978 0.397015 0.003321
N -0.015011 0.958389 -0.071986
C 4.506700 0.578443 -0.893993
C 2.621242 -0.902693 -0.293924
C 5.504471 -0.570833 -0.680457
C 3.594680 -2.076206 -0.089283
C 4.846637 -1.926696 -0.960105
C 2.385462 1.575516 -0.135707
C 1.109061 1.315799 0.695266
C 3.043798 2.830594 0.447057
C -1.280111 0.554676 0.599103
C -1.337040 -0.966360 0.578191
C -2.493825 1.222290 -0.025172
C -1.779741 -1.662361 -0.555344
C -3.766026 0.669200 0.197736
C -0.885153 -1.677160 1.699256
C -2.381916 2.411586 -0.757774
C -1.782152 -3.059787 -0.561109
C -4.903968 1.286549 -0.324764
C -0.889738 -3.074696 1.689305
C -3.524344 3.025762 -1.281638
C -1.338691 -3.767868 0.560645
C -4.786197 2.464741 -1.070165
H 4.995452 1.541354 -0.623479
H 4.227200 0.642771 -1.967560
H 2.193066 -0.939589 -1.317458
H 1.779225 -1.023170 0.426009
H 5.874036 -0.545081 0.365264
H 6.386418 -0.423017 -1.328979
H 3.076288 -3.026780 -0.310478
H 3.889058 -2.120172 0.979749
H 4.583177 -2.012788 -2.030724
H 5.557515 -2.747341 -0.751243
H 2.111941 1.770447 -1.206374
H 3.961760 3.099665 -0.086056
H 3.315487 2.662629 1.503788
H 2.364624 3.689357 0.418707
H -1.226584 0.918443 1.674399
H 0.056717 0.728447 -1.056962
H -2.133040 -1.113860 -1.427859
H -3.869110 -0.246071 0.781506
H -0.521971 -1.139720 2.577436
H -1.408478 2.875197 -0.913133
H -2.131490 -3.597680 -1.440756
H -5.885907 0.850097 -0.148720
H -0.541041 -3.623250 2.563187
H -3.427498 3.948308 -1.851700
H -1.343099 -4.856109 0.555295
H -5.673740 2.943936 -1.477807


%chk=000216498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216498

0 1
O 1.119121 1.121941 1.820505
N 3.397597 0.388436 -0.069818
N -0.078567 0.776096 -0.144542
C 4.628121 0.649165 -0.862115
C 2.927703 -1.011868 -0.251920
C 5.760852 -0.324159 -0.473937
C 4.012389 -2.028757 0.153632
C 5.314567 -1.792835 -0.641451
C 2.314004 1.371536 -0.337616
C 1.086192 1.062968 0.555735
C 2.740436 2.829158 -0.044173
C -1.340035 0.420799 0.545096
C -1.530722 -1.105008 0.505107
C -2.532115 1.239213 0.026710
C -2.131851 -1.753930 -0.603650
C -3.858332 0.835172 0.332739
C -1.013683 -1.893227 1.563871
C -2.340846 2.450499 -0.682717
C -2.212823 -3.163114 -0.652941
C -4.962280 1.616984 -0.069959
C -1.097995 -3.302964 1.518740
C -3.445501 3.231744 -1.093107
C -1.696742 -3.942906 0.408721
C -4.761806 2.818070 -0.789900
H 4.963530 1.682927 -0.675340
H 4.423937 0.554616 -1.964347
H 2.630458 -1.198122 -1.320752
H 2.030421 -1.168265 0.372465
H 6.035154 -0.140730 0.582801
H 6.651675 -0.108414 -1.095178
H 3.628306 -3.053636 -0.012377
H 4.213053 -1.915760 1.236259
H 5.136045 -2.004880 -1.716499
H 6.110235 -2.482933 -0.302726
H 1.983061 1.306065 -1.414048
H 3.503938 3.189231 -0.753895
H 3.134173 2.890991 0.983938
H 1.868032 3.502774 -0.122719
H -1.155364 0.708557 1.599977
H -0.024200 0.630452 -1.155712
H -2.549946 -1.155945 -1.422602
H -4.025514 -0.094353 0.888537
H -0.536277 -1.396280 2.417152
H -1.322227 2.789575 -0.900288
H -2.680368 -3.652829 -1.514811
H -5.978313 1.289534 0.177997
H -0.698384 -3.899553 2.346435
H -3.276749 4.165243 -1.642111
H -1.763179 -5.036138 0.372155
H -5.618875 3.423659 -1.105024


