%chk=000205630.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205630

0 1
O 5.726853 -1.538124 0.264698
O -5.726845 -1.538133 -0.264716
N 3.546533 -1.916081 0.876830
N -3.546520 -1.916093 -0.876827
C 0.777058 0.564223 -0.128685
C -0.777055 0.564220 0.128694
C 1.432329 -0.695643 0.504357
C -1.432321 -0.695646 -0.504352
C 2.960960 -0.684242 0.247974
C -2.960953 -0.684251 -0.247971
C 1.434268 1.821773 0.499985
C 1.083026 0.560648 -1.650202
C -1.083027 0.560643 1.650211
C -1.434269 1.821769 -0.499978
C 2.956418 1.825141 0.248406
C 2.605622 0.563801 -1.899928
C -2.605624 0.563791 1.899933
C -2.956419 1.825131 -0.248402
C 3.592111 0.575506 0.887606
C 3.238419 -0.694106 -1.274225
C -3.238415 -0.694117 1.274228
C -3.592107 0.575495 -0.887603
C 3.231693 1.825242 -1.269719
C -3.231698 1.825230 1.269723
C 4.903159 -2.237454 0.831778
C -4.903146 -2.237465 -0.831786
H 1.224443 -0.716309 1.589693
H 0.977838 -1.607261 0.077009
H -1.224433 -0.716309 -1.589688
H -0.977826 -1.607263 -0.077006
H 1.233824 1.856707 1.586008
H 0.983979 2.737957 0.076310
H 0.624534 1.443935 -2.131238
H 0.626631 -0.322131 -2.132033
H -0.624540 1.443932 2.131248
H -0.626631 -0.322135 2.132042
H -1.233822 1.856703 -1.586000
H -0.983983 2.737954 -0.076302
H 3.402445 2.737010 0.706198
H 2.798165 0.562832 -2.996685
H -2.798168 0.562821 2.996690
H -3.402448 2.736999 -0.706194
H 4.689416 0.568756 0.721197
H 3.448044 0.577561 1.980019
H 2.839942 -1.608506 -1.741901
H 4.333929 -0.708718 -1.453831
H -2.839936 -1.608516 1.741904
H -4.333925 -0.708733 1.453830
H -4.689413 0.568741 -0.721197
H -3.448038 0.577551 -1.980016
H 2.818277 2.735286 -1.736421
H 4.320071 1.846438 -1.459880
H -2.818285 2.735276 1.736427
H -4.320075 1.846423 1.459882
H 2.903595 -2.528176 1.368749
H -2.903578 -2.528189 -1.368740
H 5.165182 -3.175689 1.349356
H -5.165164 -3.175704 -1.349360


%chk=000205630-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205630

0 1
O 5.861390 -1.615527 0.411474
O -5.861384 -1.615538 -0.411480
N 3.589681 -1.838902 0.988093
N -3.589673 -1.838913 -0.988089
C 0.788114 0.566824 -0.147269
C -0.788112 0.566821 0.147271
C 1.496949 -0.634668 0.558781
C -1.496944 -0.634673 -0.558780
C 3.026837 -0.652248 0.281223
C -3.026831 -0.652259 -0.281219
C 1.463939 1.878230 0.373084
C 1.095483 0.459092 -1.678070
C -1.095478 0.459087 1.678072
C -1.463943 1.878226 -0.373080
C 2.993839 1.870011 0.112648
C 2.624234 0.467576 -1.950027
C -2.624228 0.467565 1.950031
C -2.993843 1.870001 -0.112642
C 3.652050 0.662810 0.826612
C 3.279638 -0.749806 -1.249291
C -3.279630 -0.749819 1.249296
C -3.652050 0.662798 -0.826605
C 3.254358 1.777519 -1.412797
C -3.254358 1.777506 1.412803
C 4.915573 -2.213884 1.000957
C -4.915564 -2.213898 -1.000955
H 1.346666 -0.569335 1.654386
H 1.056215 -1.593530 0.214694
H -1.346663 -0.569339 -1.654384
H -1.056206 -1.593534 -0.214694
H 1.275092 2.002279 1.457695
H 1.025449 2.756139 -0.137177
H 0.619371 1.298531 -2.221658
H 0.675023 -0.478614 -2.090313
H -0.619368 1.298527 2.221659
H -0.675013 -0.478618 2.090313
H -1.275098 2.002276 -1.457691
H -1.025455 2.756135 0.137181
H 3.431439 2.807232 0.509496
H 2.795879 0.391355 -3.041900
H -2.795871 0.391342 3.041904
H -3.431446 2.807221 -0.509488
H 4.742852 0.648156 0.654221
H 3.484265 0.720893 1.920601
H 2.847720 -1.695732 -1.633156
H 4.367571 -0.777645 -1.437596
H -2.847708 -1.695744 1.633159
H -4.367562 -0.777662 1.437602
H -4.742852 0.648140 -0.654213
H -3.484267 0.720882 -1.920595
H 2.813045 2.653581 -1.928840
H 4.342842 1.787569 -1.616542
H -2.813047 2.653569 1.928846
H -4.342842 1.787551 1.616550
H 2.936138 -2.420281 1.520222
H -2.936128 -2.420291 -1.520219
H 5.078449 -3.137237 1.608172
H -5.078438 -3.137247 -1.608177


